2-chloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
Formula:C15H12N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline |
| MolecularFormula | C15H12N3O2Cl |
| Smiles | [O-][N+](c1c(/C=C/C=N\Nc(cccc2)c2Cl)cccc1)=O |
| InChI | InChI=1S/C15H12ClN3O2/c16-13-8-2-3-9-14(13)18-17-11-5-7-12-6-1-4-10-15(12)19(20)21/h1-11,18H |
| InChIK | KARJEQLPXBJWSI-UHFFFAOYSA-N |
| TotalMolweight | 301.732 |
| Molweight | 301.732 |
| MonoisotopicMass | 301.061804 |
| CLogP | 4.5436 |
| CLogS | -4.637 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.83 |
| Relative PSA | 0.22736 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -3.0391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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