9,10-Dihydrophenanthrene
PubChem CID: 13058
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| Compound Synonyms | 9,10-DIHYDROPHENANTHRENE, 776-35-2, Phenanthrene, 9,10-dihydro-, 9,10-dihydro-phenanthrene, UNII-BRM9TU2F34, BRM9TU2F34, EINECS 212-278-2, NSC 60018, NSC-60018, DTXSID20228264, dihydrophenanthrenes, NSC60018, MFCD00001164, CHEMBL2407181, CHEBI:23759, DTXCID40150755, 9,10-Dihydrophenanthrene, 94%, Phenanthrene, 9,10dihydro (8CI), Phenanthrene, 9,10-dihydro-(8CI), AKOS004904703, SB66447, LS-14272, Phenanthrene, 9,10dihydro (8CI)(9CI), DB-007226, Phenanthrene, 9,10-dihydro-(8CI)(9CI), D0554, NS00037935, D89679, Q27274840, 212-278-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1CCCCC12 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | ccccc-cccccc6CC%10))))))))c6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CCCCC12 |
| Classyfire Subclass | Hydrophenanthrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 9,10-dihydrophenanthrene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCc1ccccc1-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XXPBFNVKTVJZKF-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -5.165 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.77 |
| Synonyms | 9,10-dihydrophenanthrene |
| Esol Class | Moderately soluble |
| Compound Name | 9,10-Dihydrophenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 180.24 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.439435714285714 |
| Inchi | InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2 |
| Smiles | C1CC2=CC=CC=C2C3=CC=CC=C31 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenanthrenoids |
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FOUND_INto/from Juncus Effusus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all