N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
Formula:C19H13N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C19H13N3O3 |
| Smiles | N#Cc(cc1)ccc1-c1ccc(/C=N\NC(c(cc2)ccc2O)=O)o1 |
| InChI | InChI=1S/C19H13N3O3/c20-11-13-1-3-14(4-2-13)18-10-9-17(25-18)12-21-22-19(24)15-5-7-16(23)8-6-15/h1-10,12,23H,(H,22,24) |
| InChIK | NOLAQRGVQMFRQO-UHFFFAOYSA-N |
| TotalMolweight | 331.33 |
| Molweight | 331.33 |
| MonoisotopicMass | 331.095692 |
| CLogP | 3.6304 |
| CLogS | -5.658 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 264.5 |
| Relative PSA | 0.29028 |
| PolarSurfaceArea | 98.62 |
| Druglikeness | 2.1742 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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