N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine
Formula:C18H12N6O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine |
| MolecularFormula | C18H12N6O7 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1ccc(/C=N\Nc2ncccc2[N+]([O-])=O)cc1)=O |
| InChI | InChI=1S/C18H12N6O7/c25-22(26)13-5-8-17(16(10-13)24(29)30)31-14-6-3-12(4-7-14)11-20-21-18-15(23(27)28)2-1-9-19-18/h1-11H,(H,19,21) |
| InChIK | VMMIQSBRXBDDCP-UHFFFAOYSA-N |
| TotalMolweight | 424.328 |
| Molweight | 424.328 |
| MonoisotopicMass | 424.076749 |
| CLogP | 2.8222 |
| CLogS | -6.556 |
| H Acceptors | 13 |
| H Donors | 1 |
| TotalSurfaceArea | 308.77 |
| Relative PSA | 0.43787 |
| PolarSurfaceArea | 183.97 |
| Druglikeness | -3.2686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 3 |
| StereoCon |
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1 - N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine | 2 - N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine
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