5-nitro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]pyridin-2-amine
Formula:C17H12N6O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]pyridin-2-amine |
| MolecularFormula | C17H12N6O5 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1)ccc1Oc(cc1)ncc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C17H12N6O5/c24-22(25)13-3-7-16(18-10-13)21-20-9-12-1-5-15(6-2-12)28-17-8-4-14(11-19-17)23(26)27/h1-11H,(H,18,21) |
| InChIK | JYTOISRNPPRCTH-UHFFFAOYSA-N |
| TotalMolweight | 380.319 |
| Molweight | 380.319 |
| MonoisotopicMass | 380.086919 |
| CLogP | 3.0943 |
| CLogS | -5.826 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 283.86 |
| Relative PSA | 0.40777 |
| PolarSurfaceArea | 151.04 |
| Druglikeness | -3.2686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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