Indane, 1-phenyl
PubChem CID: 529446
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| Compound Synonyms | Indane, 1-phenyl, phenylindane, Phenyl Indane, N-[3,3-Di(1,3-dioxolan-2-yl)-1-methylpropyl]-3,4,5-trimethoxybenzamide |
|---|---|
| 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 | C1CCC(C2CCC3CCCCC32)CC1 |
| Deep Smiles | cccccc6))CCCcc5cccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Indanes |
| Scaffold Graph Node Level | C1CCC(C2CCC3CCCCC32)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-phenyl-2,3-dihydro-1H-indene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H14 |
| Scaffold Graph Node Bond Level | c1ccc(C2CCc3ccccc32)cc1 |
| Inchi Key | VNAFWALXWOAPCK-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | phenylindane |
| Esol Class | Moderately soluble |
| Compound Name | Indane, 1-phenyl |
| Exact Mass | 194.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 194.27 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H14/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15/h1-9,15H,10-11H2 |
| Smiles | C1CC2=CC=CC=C2C1C3=CC=CC=C3 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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