2,4-dinitro-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]aniline
Formula:C17H11N5O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,4-dinitro-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H11N5O7 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c1ccc(-c(cccc2)c2[N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C17H11N5O7/c23-20(24)11-5-7-14(16(9-11)22(27)28)19-18-10-12-6-8-17(29-12)13-3-1-2-4-15(13)21(25)26/h1-10,19H |
| InChIK | GRKCIXGRANOVEG-UHFFFAOYSA-N |
| TotalMolweight | 397.302 |
| Molweight | 397.302 |
| MonoisotopicMass | 397.06585 |
| CLogP | 3.015 |
| CLogS | -5.989 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 289.7 |
| Relative PSA | 0.44301 |
| PolarSurfaceArea | 174.99 |
| Druglikeness | -0.77506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| AcidicOxygens | 3 |
| StereoCon |
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