4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]-6-nitrobenzene-1,3-diolate
Formula:C14H10N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]-6-nitrobenzene-1,3-diolate is a drug-like molecule.
| MolName | 4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]-6-nitrobenzene-1,3-diolate |
| MolecularFormula | C14H10N4O5 |
| Smiles | Nc(cccc1)c1C(N/N=C\c(c([O-])c1)cc([N+]([O-])=O)c1[O-])=O |
| InChI | InChI=1S/C14H12N4O5/c15-10-4-2-1-3-9(10)14(21)17-16-7-8-5-11(18(22)23)13(20)6-12(8)19/h1-7,19-20H,15H2,(H,17,21)/p-2 |
| InChIK | HEIHRPHIUMCQNP-UHFFFAOYSA-L |
| TotalMolweight | 314.256 |
| Molweight | 314.256 |
| MonoisotopicMass | 314.065121 |
| CLogP | -2.2447 |
| CLogS | -3.665 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 234.24 |
| Relative PSA | 0.47071 |
| PolarSurfaceArea | 159.42 |
| Druglikeness | -0.8295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]-6-nitrobenzene-1,3-diolate | 2 - 4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]-6-nitrobenzene-1,3-diolate
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