9-Methylfluorene
PubChem CID: 17299
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 9-Methylfluorene, 2523-37-7, 9-METHYL-9H-FLUORENE, 9H-Fluorene, 9-methyl-, Fluorene, 9-methyl-, CCRIS 4264, EINECS 219-750-7, NSC 10161, UNII-95M10BKB07, 95M10BKB07, MFCD00126475, NSC-10161, DTXSID5073957, 9-Methyl-9H-fluorene, NSC 10161, 9-methyl fluorene, 9-Methyl-fluorene, 9-Methyl-9H-fluorene #, 9H-FLUORENE,9-METHYL-, DTXCID4037241, 9-Methyl-9H-fluorene, AldrichCPR, NSC10161, AKOS003342894, s12001, AS-54555, SY239830, DB-067355, CS-0206127, NS00027836, Q27271801 |
|---|---|
| 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)CC1CCCCC12 |
| Deep Smiles | CCcccccc6-cc9cccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fluorenes |
| Scaffold Graph Node Level | C1CCC2C(C1)CC1CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methyl-9H-fluorene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)Cc1ccccc1-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVEJRZRAUYJYCO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -5.222 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.912 |
| Synonyms | 9-methyl-fluorene |
| Esol Class | Moderately soluble |
| Compound Name | 9-Methylfluorene |
| 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 | -4.181135714285714 |
| Inchi | InChI=1S/C14H12/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-10H,1H3 |
| Smiles | CC1C2=CC=CC=C2C3=CC=CC=C13 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1278183