N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
Formula:C17H11N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline |
| MolecularFormula | C17H11N3O3Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1)=O |
| InChI | InChI=1S/C17H11Cl2N3O3/c18-15-7-1-11(9-16(15)19)17-8-6-14(25-17)10-20-21-12-2-4-13(5-3-12)22(23)24/h1-10,21H |
| InChIK | CPNGSYBRLCPLKV-UHFFFAOYSA-N |
| TotalMolweight | 376.198 |
| Molweight | 376.198 |
| MonoisotopicMass | 375.017746 |
| CLogP | 6.0702 |
| CLogS | -6.541 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 273.2 |
| Relative PSA | 0.24707 |
| PolarSurfaceArea | 83.35 |
| Druglikeness | -0.73772 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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