2-[[2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoic acid
Formula:C16H13N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoic acid is a drug-like molecule.
| MolName | 2-[[2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoic acid |
| MolecularFormula | C16H13N3O6 |
| Smiles | [O-][N+](c1cc(/C=N/OCC(Nc(cccc2)c2C(O)=O)=O)ccc1)=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) |
| InChIK | NBHYYQAAUDSZEA-UHFFFAOYSA-N |
| TotalMolweight | 343.294 |
| Molweight | 343.294 |
| MonoisotopicMass | 343.080437 |
| CLogP | 1.7735 |
| CLogS | -4.066 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 258.52 |
| Relative PSA | 0.39676 |
| PolarSurfaceArea | 133.81 |
| Druglikeness | -3.0301 |
| 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 |
Click to Load Molecule:
1 - 2-[[2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoic acid | 2 - 2-[[2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off