9-Fluorenone
PubChem CID: 10241
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| Compound Synonyms | 9-Fluorenone, 486-25-9, 9H-Fluoren-9-one, Fluoren-9-one, FLUORENONE, 9-Oxofluorene, Diphenylene ketone, CCRIS 593, HSDB 5490, UNII-AZ9T83S2AQ, NSC 5181, EINECS 207-630-7, AZ9T83S2AQ, MFCD00001141, 9H-Fluorene-9-one, DTXSID6049307, CHEBI:17922, AI3-00858, NSC-5181, CHEMBL571655, DTXCID5029263, C13H8O, 9-fluoreneone, 9H-fluoren9-one, 9-Fluorenone, 98%, FLUORENONE [HSDB], bmse000521, SCHEMBL31884, WLN: L B656 HVJ, NSC5181, HMS1783A21, Tox21_202919, BBL012758, BDBM50303915, c0390, CX1121, STK755582, AKOS000118911, AC-4873, FF00182, PS-5769, NCGC00260465-01, NCGC00336203-01, CAS-486-25-9, HY-32181, DB-029404, CS-0001481, EU-0084734, F0021, NS00014587, EN300-17413, C06712, AB00376854-04, AH-034/05416008, Q421328, SR-01000515877, SR-01000515877-1, Z56926556, InChI=1/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8, 207-630-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C2CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | O=Ccccccc6-cc9cccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fluorenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C2CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14902, P07900 |
| Iupac Name | fluoren-9-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H8O |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2-c2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YLQWCDOCJODRMT-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -4.756 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.935 |
| Synonyms | 9h-fluoren-9-one |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O |
| Compound Name | 9-Fluorenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 180.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.8469629142857142 |
| Inchi | InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H |
| Smiles | C1=CC=C2C(=C1)C3=CC=CC=C3C2=O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lactuca Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/3765856