(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
Formula:C16H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-nitrophenyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4Z)-4-[(4-nitrophenyl)hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C16H15N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(/CCC(O)=O)\c1ccccc1)=O |
| InChI | InChI=1S/C16H15N3O4/c20-16(21)11-10-15(12-4-2-1-3-5-12)18-17-13-6-8-14(9-7-13)19(22)23/h1-9,17H,10-11H2,(H,20,21) |
| InChIK | IMDKLYJCEIONCX-UHFFFAOYSA-N |
| TotalMolweight | 313.312 |
| Molweight | 313.312 |
| MonoisotopicMass | 313.106257 |
| CLogP | 3.4897 |
| CLogS | -3.984 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 242.74 |
| Relative PSA | 0.32763 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -4.9986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (4Z)-4-[(4-nitrophenyl)hydrazinylidene]-4-phenylbutanoic acid | 2 - (4Z)-4-[(4-nitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
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