(Z)-3-amino-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]prop-2-enenitrile
Formula:C16H11N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-3-amino-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-amino-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]prop-2-enenitrile |
| MolecularFormula | C16H11N2OF3 |
| Smiles | N/C(/c(cc1)ccc1Oc1cccc(C(F)(F)F)c1)=C\C#N |
| InChI | InChI=1S/C16H11F3N2O/c17-16(18,19)12-2-1-3-14(10-12)22-13-6-4-11(5-7-13)15(21)8-9-20/h1-8,10H,21H2 |
| InChIK | SURREYMIFBXUEU-UHFFFAOYSA-N |
| TotalMolweight | 304.27 |
| Molweight | 304.27 |
| MonoisotopicMass | 304.082347 |
| CLogP | 3.1368 |
| CLogS | -5.356 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 227.42 |
| Relative PSA | 0.17074 |
| PolarSurfaceArea | 59.04 |
| Druglikeness | -12.423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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