(2E)-2-[(3-nitrobenzoyl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
Formula:C16H12N4O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(3-nitrobenzoyl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid is not a drug-like molecule.
| MolName | (2E)-2-[(3-nitrobenzoyl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid |
| MolecularFormula | C16H12N4O7 |
| Smiles | [O-][N+](c1cccc(C(N/N=C(\Cc(cccc2)c2[N+]([O-])=O)/C(O)=O)=O)c1)=O |
| InChI | InChI=1S/C16H12N4O7/c21-15(11-5-3-6-12(8-11)19(24)25)18-17-13(16(22)23)9-10-4-1-2-7-14(10)20(26)27/h1-8H,9H2,(H,18,21)(H,22,23) |
| InChIK | IMFDDUNAAGUPQF-UHFFFAOYSA-N |
| TotalMolweight | 372.292 |
| Molweight | 372.292 |
| MonoisotopicMass | 372.070601 |
| CLogP | 0.3097 |
| CLogS | -4.217 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 270.4 |
| Relative PSA | 0.45484 |
| PolarSurfaceArea | 170.4 |
| Druglikeness | -2.3481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 3 |
| StereoCon |
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