N-[(Z)-[3-bromo-5-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine
Formula:C19H13N4O3BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-5-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-5-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C19H13N4O3BrClF |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1Cl)cc(Br)c1OCc(cc1)ccc1F)=O |
| InChI | InChI=1S/C19H13BrClFN4O3/c20-16-7-13(9-24-25-18-6-5-15(10-23-18)26(27)28)8-17(21)19(16)29-11-12-1-3-14(22)4-2-12/h1-10H,11H2,(H,23,25) |
| InChIK | HTLCIMYFCZVHPA-UHFFFAOYSA-N |
| TotalMolweight | 479.692 |
| Molweight | 479.692 |
| MonoisotopicMass | 477.984357 |
| CLogP | 6.0499 |
| CLogS | -6.564 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 315.59 |
| Relative PSA | 0.23562 |
| PolarSurfaceArea | 92.33 |
| Druglikeness | -6.6451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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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1 - N-[(Z)-[3-bromo-5-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-[3-bromo-5-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine
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