4-amino-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
Formula:C14H12N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H12N3OCl |
| Smiles | Nc(cc1)ccc1C(N/N=C\c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C14H12ClN3O/c15-12-3-1-2-10(8-12)9-17-18-14(19)11-4-6-13(16)7-5-11/h1-9H,16H2,(H,18,19) |
| InChIK | QVVHSDWDCBEOJM-UHFFFAOYSA-N |
| TotalMolweight | 273.722 |
| Molweight | 273.722 |
| MonoisotopicMass | 273.066889 |
| CLogP | 3.1303 |
| CLogS | -4.533 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 210.93 |
| Relative PSA | 0.24311 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 4.4006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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