Furan
PubChem CID: 8029
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| Compound Synonyms | FURAN, 110-00-9, Divinylene oxide, Furfuran, Tetrole, Oxacyclopentadiene, Oxole, Furane, 1,4-Epoxy-1,3-butadiene, Axole, Furfurane, RCRA waste number U124, NCI-C56202, HSDB 89, CCRIS 3159, UNII-UC0XV6A8N9, EINECS 203-727-3, UC0XV6A8N9, BRN 0103221, DTXSID6020646, CHEBI:35559, AI3-24244, Furan (98%), Furan (stabilized with BHT), DTXCID20646, EC 203-727-3, 5-17-01-00291 (Beilstein Handbook Reference), FURAN (IARC), FURAN [IARC], Furano, UN2389, RCRA waste no. U124, beta-furan, Oxol, furan-, Oxycyclopentadiene, 2-Furan, MFCD00003222, Furan, 98%, FURAN [HSDB], FURAN [MI], Furan, analytical standard, Furan, >=99%, CHEMBL278980, Furan 1000 microg/mL in Methanol, Tox21_200920, Furan 100 microg/mL in Acetonitrile, AKOS000120038, UN 2389, Furan [UN2389] [Flammable liquid], NCGC00091774-01, NCGC00091774-02, NCGC00258474-01, CAS-110-00-9, F0074, NS00007433, EN300-17955, A802126, InChI=1/C4H4O/c1-2-4-5-3-1/h1-4, Q243992, BRD-K65278478-001-01-0, F0001-0213, 203-727-3, 25067-54-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | cccco5 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 22.8 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NUW8, P28482, P15917, Q03181, Q96RI1, P10145, P51449 |
| Iupac Name | furan |
| Prediction Hob | 1.0 |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT50, NPT282 |
| Xlogp | 1.3 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H4O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YLQBMQCUIZJEEH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -0.912 |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Logd | 1.094 |
| Synonyms | 1,4-Epoxy-1,3-butadiene, Divinylene oxide, Furane, Oxacyclopentadiene, Oxole, Tetrole, Furfuran, Furfurane, furan |
| Esol Class | Very soluble |
| Functional Groups | coc |
| Compound Name | Furan |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 68.0262 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 68.0262 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 68.07 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.846265 |
| Inchi | InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H |
| Smiles | C1=COC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
- 1. Outgoing r'ship
FOUND_INto/from Fragaria Ananassa (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Reference:ISBN:9788172363093