N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-5-nitropyridin-2-amine
Formula:C16H10N4O3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C16H10N4O3BrCl |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c1ccc(-c(cc2)cc(Cl)c2Br)o1)=O |
| InChI | InChI=1S/C16H10BrClN4O3/c17-13-4-1-10(7-14(13)18)15-5-3-12(25-15)9-20-21-16-6-2-11(8-19-16)22(23)24/h1-9H,(H,19,21) |
| InChIK | RMKGGHOFLCBAIN-UHFFFAOYSA-N |
| TotalMolweight | 421.637 |
| Molweight | 421.637 |
| MonoisotopicMass | 419.962479 |
| CLogP | 5.5399 |
| CLogS | -6.369 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 275.17 |
| Relative PSA | 0.28517 |
| PolarSurfaceArea | 96.24 |
| Druglikeness | -2.5277 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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