(Z)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile
Formula:C9H7N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile |
| MolecularFormula | C9H7N2Cl |
| Smiles | N/C(/c(cc1)ccc1Cl)=C\C#N |
| InChI | InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-5H,12H2 |
| InChIK | KJYOCBARUBWAHD-UHFFFAOYSA-N |
| TotalMolweight | 178.622 |
| Molweight | 178.622 |
| MonoisotopicMass | 178.029775 |
| CLogP | 1.4989 |
| CLogS | -3.017 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 143.62 |
| Relative PSA | 0.20074 |
| PolarSurfaceArea | 49.81 |
| Druglikeness | -5.1114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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