4-Methylphenanthrene
PubChem CID: 13256
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| Compound Synonyms | 4-METHYLPHENANTHRENE, 832-64-4, Phenanthrene, 4-methyl-, 4931P56DVP, NSC-21046, 31711-53-2, Phenanthrene, methyl-, UNII-4931P56DVP, NSC21046, EINECS 212-621-6, NSC 21046, 4-methyl-phenanthrene, DTXSID7073933, AKOS024329379, NS00002091, Q27259217 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylphenanthrene |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LOCGAKKLRVLQAM-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -6.27 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.056 |
| Compound Name | 4-Methylphenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 192.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.923084866666667 |
| Inchi | InChI=1S/C15H12/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13/h2-10H,1H3 |
| Smiles | CC1=C2C(=CC=C1)C=CC3=CC=CC=C32 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients