4-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C19H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C19H17N3O4 |
| Smiles | OC(c1ccc(/C=N\NC(CNC(/C=C/c2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C19H17N3O4/c23-17(11-8-14-4-2-1-3-5-14)20-13-18(24)22-21-12-15-6-9-16(10-7-15)19(25)26/h1-12H,13H2,(H,20,23)(H,22,24)(H,25,26) |
| InChIK | SRVTXFSANWBTDN-UHFFFAOYSA-N |
| TotalMolweight | 351.361 |
| Molweight | 351.361 |
| MonoisotopicMass | 351.121907 |
| CLogP | 2.0996 |
| CLogS | -3.871 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 280.56 |
| Relative PSA | 0.30885 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 3.8342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| 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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1 - 4-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
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