N-[(Z)-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine
Formula:C19H12N4O3BrCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C19H12N4O3BrCl3 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1Cl)cc(Br)c1OCc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C19H12BrCl3N4O3/c20-15-5-11(8-25-26-18-4-3-14(9-24-18)27(28)29)6-17(23)19(15)30-10-12-1-2-13(21)7-16(12)22/h1-9H,10H2,(H,24,26) |
| InChIK | QRXADXXJIDFZAA-UHFFFAOYSA-N |
| TotalMolweight | 530.592 |
| Molweight | 530.592 |
| MonoisotopicMass | 527.915833 |
| CLogP | 7.1611 |
| CLogS | -7.722 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 340.08 |
| Relative PSA | 0.21865 |
| PolarSurfaceArea | 92.33 |
| Druglikeness | -5.3051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine
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