N-[(Z)-(4-iodophenyl)methylideneamino]-3-nitropyridin-2-amine
Formula:C12H9N4O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-iodophenyl)methylideneamino]-3-nitropyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-iodophenyl)methylideneamino]-3-nitropyridin-2-amine |
| MolecularFormula | C12H9N4O2I |
| Smiles | [O-][N+](c1cccnc1N/N=C\c(cc1)ccc1I)=O |
| InChI | InChI=1S/C12H9IN4O2/c13-10-5-3-9(4-6-10)8-15-16-12-11(17(18)19)2-1-7-14-12/h1-8H,(H,14,16) |
| InChIK | CFPJKFPIEMUNBM-UHFFFAOYSA-N |
| TotalMolweight | 368.129 |
| Molweight | 368.129 |
| MonoisotopicMass | 367.977024 |
| CLogP | 3.7069 |
| CLogS | -4.355 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 217.95 |
| Relative PSA | 0.2953 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -2.5457 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-iodophenyl)methylideneamino]-3-nitropyridin-2-amine | 2 - N-[(Z)-(4-iodophenyl)methylideneamino]-3-nitropyridin-2-amine
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