3,4-dichloro-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H10N3O4Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3,4-dichloro-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H10N3O4Cl3 |
| Smiles | [O-][N+](c(cc(cc1)-c2ccc(/C=N\NC(c(cc3)cc(Cl)c3Cl)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C18H10Cl3N3O4/c19-13-4-2-11(7-15(13)21)18(25)23-22-9-12-3-6-17(28-12)10-1-5-14(20)16(8-10)24(26)27/h1-9H,(H,23,25) |
| InChIK | CWSYXTCWBDNOEY-UHFFFAOYSA-N |
| TotalMolweight | 438.653 |
| Molweight | 438.653 |
| MonoisotopicMass | 436.973688 |
| CLogP | 5.0369 |
| CLogS | -7.849 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.37 |
| Relative PSA | 0.26288 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 1.4137 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide | 2 - 3,4-dichloro-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
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