4-chloro-2-[[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]carbamoyl]phenolate
Formula:C14H9N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-[[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]carbamoyl]phenolate is a drug-like molecule.
| MolName | 4-chloro-2-[[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]carbamoyl]phenolate |
| MolecularFormula | C14H9N3O5Cl |
| Smiles | [O-]c(ccc(Cl)c1)c1C(N/N=C\c(cc(cc1)O)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C14H10ClN3O5/c15-9-1-4-13(20)11(6-9)14(21)17-16-7-8-5-10(19)2-3-12(8)18(22)23/h1-7,19-20H,(H,17,21)/p-1 |
| InChIK | QELXRXRMPYXHRI-UHFFFAOYSA-M |
| TotalMolweight | 334.694 |
| Molweight | 334.694 |
| MonoisotopicMass | 334.023074 |
| CLogP | 0.6166 |
| CLogS | -4.325 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 239.96 |
| Relative PSA | 0.39094 |
| PolarSurfaceArea | 130.57 |
| Druglikeness | -0.77052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
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