2-Methylanthracene
PubChem CID: 11936
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| Compound Synonyms | 2-METHYLANTHRACENE, 613-12-7, Anthracene, 2-methyl-, CCRIS 2739, EINECS 210-329-3, NSC 87376, 6C868JOV4A, NSC-87376, 26914-18-1, DTXSID8060616, Anthracene, methyl-, 2-Methylanthracene, NSC 87376, UNII-6C868JOV4A, Methylanthracen, Anthracene, 2methyl, MFCD00003583, 2-Methylanthracene, 97%, NCIOpen2_001192, CHEMBL1797266, DTXCID6042995, NSC87376, AKOS015842598, FM67139, AS-48194, DB-053835, CS-0359328, NS00002795, F19702, Q21198615, 210-329-3 |
|---|---|
| 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 | C1CCC2CC3CCCCC3CC2C1 |
| Deep Smiles | Ccccccc6)cccc6)cccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | C1CCC2CC3CCCCC3CC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylanthracene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H12 |
| Scaffold Graph Node Bond Level | c1ccc2cc3ccccc3cc2c1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GYMFBYTZOGMSQJ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.0666666666666666 |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-methylanthracene |
| Esol Class | Moderately soluble |
| Compound Name | 2-Methylanthracene |
| 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 |
| 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 | -4.872684866666667 |
| Inchi | InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3 |
| Smiles | CC1=CC2=CC3=CC=CC=C3C=C2C=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all