N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
Formula:C23H18N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C23H18N4O3 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1)ccc1OCc1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C23H18N4O3/c28-27(29)21-9-12-23(24-15-21)26-25-14-17-6-10-22(11-7-17)30-16-18-5-8-19-3-1-2-4-20(19)13-18/h1-15H,16H2,(H,24,26) |
| InChIK | ONLDZOIMRUZXIG-UHFFFAOYSA-N |
| TotalMolweight | 398.421 |
| Molweight | 398.421 |
| MonoisotopicMass | 398.137891 |
| CLogP | 5.8123 |
| CLogS | -6.286 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 309.79 |
| Relative PSA | 0.24003 |
| PolarSurfaceArea | 92.33 |
| Druglikeness | -3.5799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
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