2-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoate
Formula:C16H12N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoate is a drug-like molecule.
| MolName | 2-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoate |
| MolecularFormula | C16H12N3O6 |
| Smiles | [O-]C(c(cccc1)c1NC(CO/N=C\c1cccc([N+]([O-])=O)c1)=O)=O |
| InChI | InChI=1S/C16H13N3O6/c20-15(18-14-7-2-1-6-13(14)16(21)22)10-25-17-9-11-4-3-5-12(8-11)19(23)24/h1-9H,10H2,(H,18,20)(H,21,22)/p-1 |
| InChIK | NBHYYQAAUDSZEA-UHFFFAOYSA-M |
| TotalMolweight | 342.286 |
| Molweight | 342.286 |
| MonoisotopicMass | 342.072612 |
| CLogP | -0.3025 |
| CLogS | -4.066 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 259.7 |
| Relative PSA | 0.3995 |
| PolarSurfaceArea | 136.64 |
| Druglikeness | -2.8285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoate | 2 - 2-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoate
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