N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
Formula:C23H17N3O4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C23H17N3O4ClF3 |
| Smiles | [O-][N+](c1c(CC(N/N=C\c(cc2)ccc2OCc(cc2)ccc2Cl)=O)ccc(C(F)(F)F)c1)=O |
| InChI | InChI=1S/C23H17ClF3N3O4/c24-19-7-1-16(2-8-19)14-34-20-9-3-15(4-10-20)13-28-29-22(31)11-17-5-6-18(23(25,26)27)12-21(17)30(32)33/h1-10,12-13H,11,14H2,(H,29,31) |
| InChIK | GPDFVAULDXGZSY-UHFFFAOYSA-N |
| TotalMolweight | 491.852 |
| Molweight | 491.852 |
| MonoisotopicMass | 491.085968 |
| CLogP | 5.0805 |
| CLogS | -7.001 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 352.82 |
| Relative PSA | 0.21663 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -8.2278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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