4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C24H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C24H21N3O4 |
| Smiles | OC(c1ccc(/C=N\NC(CNC(C(c2ccccc2)c2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C24H21N3O4/c28-21(27-26-15-17-11-13-20(14-12-17)24(30)31)16-25-23(29)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,22H,16H2,(H,25,29)(H,27,28)(H,30,31) |
| InChIK | WSJGHNBDKOZPLO-UHFFFAOYSA-N |
| TotalMolweight | 415.448 |
| Molweight | 415.448 |
| MonoisotopicMass | 415.153207 |
| CLogP | 3.2961 |
| CLogS | -4.615 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 326.32 |
| Relative PSA | 0.26554 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 6.1351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
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