[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] (E)-3-phenylprop-2-enoate
Formula:C17H14N2O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C17H14N2O2Cl2 |
| Smiles | N/C(/Cc(ccc(Cl)c1)c1Cl)=N/OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C17H14Cl2N2O2/c18-14-8-7-13(15(19)11-14)10-16(20)21-23-17(22)9-6-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,21) |
| InChIK | OYSISDOFNKKCRD-UHFFFAOYSA-N |
| TotalMolweight | 349.216 |
| Molweight | 349.216 |
| MonoisotopicMass | 348.043232 |
| CLogP | 4.6114 |
| CLogS | -5.343 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.36 |
| Relative PSA | 0.18917 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -3.4594 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] (E)-3-phenylprop-2-enoate | 2 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] (E)-3-phenylprop-2-enoate
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