N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine
Formula:C23H17N4O3Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine |
| MolecularFormula | C23H17N4O3Br |
| Smiles | [O-][N+](c1cccnc1N/N=C\c(cc1)cc(Br)c1OCc1cccc2ccccc12)=O |
| InChI | InChI=1S/C23H17BrN4O3/c24-20-13-16(14-26-27-23-21(28(29)30)9-4-12-25-23)10-11-22(20)31-15-18-7-3-6-17-5-1-2-8-19(17)18/h1-14H,15H2,(H,25,27) |
| InChIK | ZAPKCHFDKDKAMC-UHFFFAOYSA-N |
| TotalMolweight | 477.317 |
| Molweight | 477.317 |
| MonoisotopicMass | 476.048402 |
| CLogP | 6.5375 |
| CLogS | -7.12 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.42 |
| Relative PSA | 0.22642 |
| PolarSurfaceArea | 92.33 |
| Druglikeness | -5.3699 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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