N-[(Z)-naphthalen-1-ylmethylideneamino]-5-nitropyridin-2-amine
Formula:C16H12N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-5-nitropyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C16H12N4O2 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c1cccc2ccccc12)=O |
| InChI | InChI=1S/C16H12N4O2/c21-20(22)14-8-9-16(17-11-14)19-18-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,17,19) |
| InChIK | XPRAXUIIKSBGRC-UHFFFAOYSA-N |
| TotalMolweight | 292.297 |
| Molweight | 292.297 |
| MonoisotopicMass | 292.096026 |
| CLogP | 4.4642 |
| CLogS | -4.945 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 226.27 |
| Relative PSA | 0.28444 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-5-nitropyridin-2-amine
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