(Z)-3-amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile
Formula:C15H10N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-3-amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile |
| MolecularFormula | C15H10N2OClF |
| Smiles | N/C(/c(cc1)ccc1Oc(cc1)cc(F)c1Cl)=C\C#N |
| InChI | InChI=1S/C15H10ClFN2O/c16-13-6-5-12(9-14(13)17)20-11-3-1-10(2-4-11)15(19)7-8-18/h1-7,9H,19H2 |
| InChIK | MFOAXVLNWIGYFR-UHFFFAOYSA-N |
| TotalMolweight | 288.708 |
| Molweight | 288.708 |
| MonoisotopicMass | 288.046568 |
| CLogP | 2.9953 |
| CLogS | -5.628 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 219.73 |
| Relative PSA | 0.17672 |
| PolarSurfaceArea | 59.04 |
| Druglikeness | -6.4505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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