N-[(Z)-[3-bromo-5-chloro-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
Formula:C23H16N4O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-5-chloro-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-5-chloro-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C23H16N4O3BrCl |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1Cl)cc(Br)c1OCc1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C23H16BrClN4O3/c24-20-10-16(12-27-28-22-8-7-19(13-26-22)29(30)31)11-21(25)23(20)32-14-15-5-6-17-3-1-2-4-18(17)9-15/h1-13H,14H2,(H,26,28) |
| InChIK | IGAZHINJUBAJLX-UHFFFAOYSA-N |
| TotalMolweight | 511.762 |
| Molweight | 511.762 |
| MonoisotopicMass | 510.009429 |
| CLogP | 7.1435 |
| CLogS | -7.856 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 343.84 |
| Relative PSA | 0.21626 |
| 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 | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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1 - N-[(Z)-[3-bromo-5-chloro-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-[3-bromo-5-chloro-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
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