N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-chloroaniline
Formula:C15H12N2BrCl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-chloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-chloroaniline |
| MolecularFormula | C15H12N2BrCl |
| Smiles | Clc(cccc1)c1N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C15H12BrClN2/c16-13(10-12-6-2-1-3-7-12)11-18-19-15-9-5-4-8-14(15)17/h1-11,19H |
| InChIK | HCEQQSYFHBDCPW-UHFFFAOYSA-N |
| TotalMolweight | 335.631 |
| Molweight | 335.631 |
| MonoisotopicMass | 333.987236 |
| CLogP | 6.0578 |
| CLogS | -5.01 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 228 |
| Relative PSA | 0.10075 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -2.791 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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