N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
Formula:C18H11N4O6Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C18H11N4O6Cl |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c2ccc(-c(cc(cc3)[N+]([O-])=O)c3Cl)o2)=O)c1)=O |
| InChI | InChI=1S/C18H11ClN4O6/c19-16-6-4-13(23(27)28)9-15(16)17-7-5-14(29-17)10-20-21-18(24)11-2-1-3-12(8-11)22(25)26/h1-10H,(H,21,24) |
| InChIK | UTSLHUDGBZPJPY-UHFFFAOYSA-N |
| TotalMolweight | 414.76 |
| Molweight | 414.76 |
| MonoisotopicMass | 414.036713 |
| CLogP | 2.9033 |
| CLogS | -6.837 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 299.2 |
| Relative PSA | 0.37086 |
| PolarSurfaceArea | 146.24 |
| Druglikeness | 1.4137 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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