N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-5-nitrobenzamide
Formula:C25H18N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-5-nitrobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-5-nitrobenzamide |
| MolecularFormula | C25H18N3O5Cl |
| Smiles | [O-][N+](c(cc1)cc(C(N/N=C\c(c2ccccc2cc2)c2OCc(cc2)ccc2Cl)=O)c1O)=O |
| InChI | InChI=1S/C25H18ClN3O5/c26-18-8-5-16(6-9-18)15-34-24-12-7-17-3-1-2-4-20(17)22(24)14-27-28-25(31)21-13-19(29(32)33)10-11-23(21)30/h1-14,30H,15H2,(H,28,31) |
| InChIK | RSCCVECUSDEKJS-UHFFFAOYSA-N |
| TotalMolweight | 475.887 |
| Molweight | 475.887 |
| MonoisotopicMass | 475.093499 |
| CLogP | 5.0828 |
| CLogS | -7.568 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 350.55 |
| Relative PSA | 0.2554 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -1.0712 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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