4-cyano-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
Formula:C15H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyano-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C15H11N3O2 |
| Smiles | N#Cc(cc1)ccc1C(N/N=C\c1cc(O)ccc1)=O |
| InChI | InChI=1S/C15H11N3O2/c16-9-11-4-6-13(7-5-11)15(20)18-17-10-12-2-1-3-14(19)8-12/h1-8,10,19H,(H,18,20) |
| InChIK | PZTIJTBPTMXZOS-UHFFFAOYSA-N |
| TotalMolweight | 265.271 |
| Molweight | 265.271 |
| MonoisotopicMass | 265.085127 |
| CLogP | 2.6915 |
| CLogS | -4.198 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 215.05 |
| Relative PSA | 0.29142 |
| PolarSurfaceArea | 85.48 |
| Druglikeness | 0.14035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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