N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-nitropyridin-2-amine
Formula:C12H8N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-nitropyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C12H8N4O2Cl2 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C12H8Cl2N4O2/c13-10-3-1-8(5-11(10)14)6-16-17-12-4-2-9(7-15-12)18(19)20/h1-7H,(H,15,17) |
| InChIK | GRVUBTATJFKTCI-UHFFFAOYSA-N |
| TotalMolweight | 311.128 |
| Molweight | 311.128 |
| MonoisotopicMass | 310.00243 |
| CLogP | 4.4818 |
| CLogS | -4.811 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 222.51 |
| Relative PSA | 0.28925 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-nitropyridin-2-amine
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