2-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
Formula:C15H13N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline |
| MolecularFormula | C15H13N2Cl |
| Smiles | Clc(cccc1)c1N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C15H13ClN2/c16-14-10-4-5-11-15(14)18-17-12-6-9-13-7-2-1-3-8-13/h1-12,18H |
| InChIK | OTLCWEXVFPFKIS-UHFFFAOYSA-N |
| TotalMolweight | 256.735 |
| Molweight | 256.735 |
| MonoisotopicMass | 256.076725 |
| CLogP | 5.4652 |
| CLogS | -4.177 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 211.16 |
| Relative PSA | 0.10878 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.3011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline | 2 - 2-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
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