N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
Formula:C18H11N4O6Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C18H11N4O6Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1ccc(-c(cc(cc2)[N+]([O-])=O)c2Cl)o1)=O)=O |
| InChI | InChI=1S/C18H11ClN4O6/c19-16-7-5-13(23(27)28)9-15(16)17-8-6-14(29-17)10-20-21-18(24)11-1-3-12(4-2-11)22(25)26/h1-10H,(H,21,24) |
| InChIK | GQVWPYGANMALDC-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 | 0.62069 |
| 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 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
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