4-[(Z)-[(2-benzamidoacetyl)hydrazinylidene]methyl]benzoic acid
Formula:C17H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-benzamidoacetyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(2-benzamidoacetyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C17H15N3O4 |
| Smiles | OC(c1ccc(/C=N\NC(CNC(c2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C17H15N3O4/c21-15(11-18-16(22)13-4-2-1-3-5-13)20-19-10-12-6-8-14(9-7-12)17(23)24/h1-10H,11H2,(H,18,22)(H,20,21)(H,23,24) |
| InChIK | RTDMOFNVTUPXPP-UHFFFAOYSA-N |
| TotalMolweight | 325.323 |
| Molweight | 325.323 |
| MonoisotopicMass | 325.106257 |
| CLogP | 1.7704 |
| CLogS | -3.501 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 254.06 |
| Relative PSA | 0.34106 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 5.1455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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