5-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
Formula:C19H15N5O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine |
| MolecularFormula | C19H15N5O5 |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=N\Nc(cc3)ncc3[N+]([O-])=O)cc2)cc1)=O |
| InChI | InChI=1S/C19H15N5O5/c25-23(26)16-5-1-15(2-6-16)13-29-18-8-3-14(4-9-18)11-21-22-19-10-7-17(12-20-19)24(27)28/h1-12H,13H2,(H,20,22) |
| InChIK | URYUJNFIXBZCPK-UHFFFAOYSA-N |
| TotalMolweight | 393.358 |
| Molweight | 393.358 |
| MonoisotopicMass | 393.10732 |
| CLogP | 3.6963 |
| CLogS | -5.14 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 298.86 |
| Relative PSA | 0.3506 |
| PolarSurfaceArea | 138.15 |
| Druglikeness | -3.5799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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