N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
Formula:C18H11N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C18H11N3O4Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1)=O)=O |
| InChI | InChI=1S/C18H11Cl2N3O4/c19-15-7-3-12(9-16(15)20)17-8-6-14(27-17)10-21-22-18(24)11-1-4-13(5-2-11)23(25)26/h1-10H,(H,22,24) |
| InChIK | QWVZHPFBWLQDDI-UHFFFAOYSA-N |
| TotalMolweight | 404.208 |
| Molweight | 404.208 |
| MonoisotopicMass | 403.012661 |
| CLogP | 4.4309 |
| CLogS | -7.113 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.95 |
| Relative PSA | 0.27682 |
| 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 | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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