(Z)-4-(2-nitrovinyl)phenol
PubChem CID: 15311368
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| Compound Synonyms | (Z)-4-(2-nitrovinyl)phenol, AQ4RK84K4F, CHEMBL3905482, 4-(2-nitrovinyl)phenol, (Z)-, 4-[(1Z)-2-Nitroethenyl]phenol, Phenol, 4-[(1Z)-2-nitroethenyl]-, 1082703-37-4, (Z)-1-Hydroxy-4-(2-nitroethenyl)benzene |
|---|---|
| Topological Polar Surface Area | 66.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(Z)-2-nitroethenyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C8H7NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CTJKRKMPTRJAIT-WAYWQWQTSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.094 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.64 |
| Compound Name | (Z)-4-(2-nitrovinyl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 165.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 165.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.4375176 |
| Inchi | InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5- |
| Smiles | C1=CC(=CC=C1/C=C\[N+](=O)[O-])O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Australis (Plant) Rel Props:Source_db:cmaup_ingredients