N-[(Z)-(2-bromophenyl)methylideneamino]-5-nitropyridin-2-amine
Formula:C12H9N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-5-nitropyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C12H9N4O2Br |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C12H9BrN4O2/c13-11-4-2-1-3-9(11)7-15-16-12-6-5-10(8-14-12)17(18)19/h1-8H,(H,14,16) |
| InChIK | APRYJTJVSARJAV-UHFFFAOYSA-N |
| TotalMolweight | 321.133 |
| Molweight | 321.133 |
| MonoisotopicMass | 319.990887 |
| CLogP | 3.995 |
| CLogS | -4.173 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 210.3 |
| Relative PSA | 0.30604 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -4.9221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-(2-bromophenyl)methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-5-nitropyridin-2-amine
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