4-[(Z)-[[2-(thiophene-2-carbonylamino)acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C15H13N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-(thiophene-2-carbonylamino)acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-(thiophene-2-carbonylamino)acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C15H13N3O4S |
| Smiles | OC(c1ccc(/C=N\NC(CNC(c2cccs2)=O)=O)cc1)=O |
| InChI | InChI=1S/C15H13N3O4S/c19-13(9-16-14(20)12-2-1-7-23-12)18-17-8-10-3-5-11(6-4-10)15(21)22/h1-8H,9H2,(H,16,20)(H,18,19)(H,21,22) |
| InChIK | KMWOUFLMUAYYDF-UHFFFAOYSA-N |
| TotalMolweight | 331.351 |
| Molweight | 331.351 |
| MonoisotopicMass | 331.062677 |
| CLogP | 1.637 |
| CLogS | -3.511 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 250 |
| Relative PSA | 0.42804 |
| PolarSurfaceArea | 136.1 |
| Druglikeness | 6.9504 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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