(Z)-3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C10H7N2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C10H7N2F3 |
| Smiles | N/C(/c1ccc(C(F)(F)F)cc1)=C\C#N |
| InChI | InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-7(2-4-8)9(15)5-6-14/h1-5H,15H2 |
| InChIK | YKHUYEGEZRFKOV-UHFFFAOYSA-N |
| TotalMolweight | 212.174 |
| Molweight | 212.174 |
| MonoisotopicMass | 212.056132 |
| CLogP | 1.7412 |
| CLogS | -3.059 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 157.66 |
| Relative PSA | 0.18286 |
| PolarSurfaceArea | 49.81 |
| Druglikeness | -12.417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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