(2E)-3-(2-nitrophenyl)-2-(phenylhydrazinylidene)propanoic acid
Formula:C15H13N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2E)-3-(2-nitrophenyl)-2-(phenylhydrazinylidene)propanoic acid is a drug-like molecule.
| MolName | (2E)-3-(2-nitrophenyl)-2-(phenylhydrazinylidene)propanoic acid |
| MolecularFormula | C15H13N3O4 |
| Smiles | [O-][N+](c1c(C/C(/C(O)=O)=N\Nc2ccccc2)cccc1)=O |
| InChI | InChI=1S/C15H13N3O4/c19-15(20)13(17-16-12-7-2-1-3-8-12)10-11-6-4-5-9-14(11)18(21)22/h1-9,16H,10H2,(H,19,20) |
| InChIK | QXCIKBNUXJIZPN-UHFFFAOYSA-N |
| TotalMolweight | 299.285 |
| Molweight | 299.285 |
| MonoisotopicMass | 299.090607 |
| CLogP | 2.8706 |
| CLogS | -3.185 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 228.98 |
| Relative PSA | 0.34732 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -4.2645 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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