4-(4-chloroanilino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]butanamide
Formula:C17H18N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-chloroanilino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]butanamide is a drug-like molecule.
| MolName | 4-(4-chloroanilino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]butanamide |
| MolecularFormula | C17H18N3O2Cl |
| Smiles | Oc1cccc(/C=N\NC(CCCNc(cc2)ccc2Cl)=O)c1 |
| InChI | InChI=1S/C17H18ClN3O2/c18-14-6-8-15(9-7-14)19-10-2-5-17(23)21-20-12-13-3-1-4-16(22)11-13/h1,3-4,6-9,11-12,19,22H,2,5,10H2,(H,21,23) |
| InChIK | NFIKIWKFCXPLIG-UHFFFAOYSA-N |
| TotalMolweight | 331.802 |
| Molweight | 331.802 |
| MonoisotopicMass | 331.108754 |
| CLogP | 3.6626 |
| CLogS | -4.523 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 261.5 |
| Relative PSA | 0.23163 |
| PolarSurfaceArea | 73.72 |
| Druglikeness | 4.1139 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-(4-chloroanilino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]butanamide | 2 - 4-(4-chloroanilino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]butanamide
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