N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine
Formula:C19H14N4O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C19H14N4O3BrCl |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc(cc1)Br)c1OCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H14BrClN4O3/c20-15-3-7-18(28-12-13-1-4-16(21)5-2-13)14(9-15)10-23-24-19-8-6-17(11-22-19)25(26)27/h1-11H,12H2,(H,22,24) |
| InChIK | IQXAHAFKRQJIJR-UHFFFAOYSA-N |
| TotalMolweight | 461.702 |
| Molweight | 461.702 |
| MonoisotopicMass | 459.993779 |
| CLogP | 5.9491 |
| CLogS | -6.25 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 309.24 |
| Relative PSA | 0.24046 |
| PolarSurfaceArea | 92.33 |
| Druglikeness | -5.3051 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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