(4Z)-4-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-4-phenylbutanoic acid
Formula:C24H22N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4Z)-4-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C24H22N2O4 |
| Smiles | OC(C(N/N=C(/CCC(O)=O)\c1ccccc1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C24H22N2O4/c27-22(28)17-16-21(18-10-4-1-5-11-18)25-26-23(29)24(30,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,30H,16-17H2,(H,26,29)(H,27,28) |
| InChIK | SDPWVSVMAQKFQQ-UHFFFAOYSA-N |
| TotalMolweight | 402.449 |
| Molweight | 402.449 |
| MonoisotopicMass | 402.157958 |
| CLogP | 3.0523 |
| CLogS | -4.802 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 313.34 |
| Relative PSA | 0.24015 |
| PolarSurfaceArea | 98.99 |
| Druglikeness | 3.0395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-4-phenylbutanoic acid | 2 - (4Z)-4-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-4-phenylbutanoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off