3-Methylbenzo(c)phenanthrene
PubChem CID: 16931
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| Compound Synonyms | 3-Methylbenzo[c]phenanthrene, 2381-19-3, 3-Methylbenzo(c)phenanthrene, 3-Methyl-3,4-benzophenanthrene, 7-Methyl-3:4-benzophenanthrene, 7-Methyl-3,4-benzphenanthrene, Benzo[c]phenanthrene, 3-methyl-, QK9NBX92AZ, BENZO(c)PHENANTHRENE, 3-METHYL-, NSC-97698, NSC 97698, BRN 2328896, NSC97698, UNII-QK9NBX92AZ, Methylbenzo(c)phenanthrene, 7-Methyl-3,4-benzphenanthren, DTXSID10946607, HFBPJADWYSMWGU-UHFFFAOYSA-N, WLN: L C6 B666J F1, AKOS024341213, 3-METHYLBENZO[C]PHENANTHRENE STANDARD SOLUTION, 78328-47-9 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylbenzo[c]phenanthrene |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C19H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HFBPJADWYSMWGU-UHFFFAOYSA-N |
| Fcsp3 | 0.0526315789473684 |
| Logs | -3.942 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.223 |
| Compound Name | 3-Methylbenzo(c)phenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 242.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.892742831578947 |
| Inchi | InChI=1S/C19H14/c1-13-6-11-18-16(12-13)10-9-15-8-7-14-4-2-3-5-17(14)19(15)18/h2-12H,1H3 |
| Smiles | CC1=CC2=C(C=C1)C3=C(C=CC4=CC=CC=C43)C=C2 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trichosanthes Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients