Phenylheptatriene
PubChem CID: 53803770
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| Compound Synonyms | phenylheptatriene |
|---|---|
| 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 | C1CCCCC1 |
| Deep Smiles | CC=CC=CC=Ccccccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Styrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hepta-1,3,5-trienylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H14 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | FKFUJTRUAUKHGB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | phenylheptatriene |
| Esol Class | Soluble |
| Functional Groups | cC=CC=CC=CC |
| Compound Name | Phenylheptatriene |
| Exact Mass | 170.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 170.25 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H14/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-12H,1H3 |
| Smiles | CC=CC=CC=CC1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Bidens Tripartita (Plant) Rel Props:Reference:ISBN:9788172362089