2-nitro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H12N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-nitro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H12N4O6 |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\NC(c(cccc3)c3[N+]([O-])=O)=O)o2)c1)=O |
| InChI | InChI=1S/C18H12N4O6/c23-18(15-6-1-2-7-16(15)22(26)27)20-19-11-14-8-9-17(28-14)12-4-3-5-13(10-12)21(24)25/h1-11H,(H,20,23) |
| InChIK | JCRBFPKATVWWJN-UHFFFAOYSA-N |
| TotalMolweight | 380.315 |
| Molweight | 380.315 |
| MonoisotopicMass | 380.075686 |
| CLogP | 2.2973 |
| CLogS | -6.101 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 283.78 |
| Relative PSA | 0.39101 |
| PolarSurfaceArea | 146.24 |
| Druglikeness | 1.38 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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