N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
Formula:C19H15N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C19H15N4O3Br |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1)cc(Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C19H15BrN4O3/c20-17-10-15(6-8-18(17)27-13-14-4-2-1-3-5-14)11-22-23-19-9-7-16(12-21-19)24(25)26/h1-12H,13H2,(H,21,23) |
| InChIK | DHZZJJZZVQLAAC-UHFFFAOYSA-N |
| TotalMolweight | 427.257 |
| Molweight | 427.257 |
| MonoisotopicMass | 426.032752 |
| CLogP | 5.3431 |
| CLogS | -5.514 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 293.82 |
| Relative PSA | 0.25308 |
| PolarSurfaceArea | 92.33 |
| Druglikeness | -5.3699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
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