2-hydroxy-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dinitrobenzamide
Formula:C14H10N4O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dinitrobenzamide is not a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dinitrobenzamide |
| MolecularFormula | C14H10N4O7 |
| Smiles | [O-][N+](c(cc1C(N/N=C\c2cc(O)ccc2)=O)cc([N+]([O-])=O)c1O)=O |
| InChI | InChI=1S/C14H10N4O7/c19-10-3-1-2-8(4-10)7-15-16-14(21)11-5-9(17(22)23)6-12(13(11)20)18(24)25/h1-7,19-20H,(H,16,21) |
| InChIK | INDVAGLWXXLLHG-UHFFFAOYSA-N |
| TotalMolweight | 346.254 |
| Molweight | 346.254 |
| MonoisotopicMass | 346.054951 |
| CLogP | 0.667 |
| CLogS | -4.049 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 247.03 |
| Relative PSA | 0.49812 |
| PolarSurfaceArea | 173.56 |
| Druglikeness | -0.78017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-hydroxy-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dinitrobenzamide | 2 - 2-hydroxy-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dinitrobenzamide
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