(E)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine
Formula:C19H17N3O5ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine is a drug-like molecule.
| MolName | (E)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine |
| MolecularFormula | C19H17N3O5ClF |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N/OCc2cccc(Cl)c2F)cc1)=O |
| InChI | InChI=1S/C19H17ClFN3O5/c20-16-6-3-4-12(19(16)21)11-29-22-17-7-2-1-5-14(17)15-9-8-13(23(25)26)10-18(15)24(27)28/h3-4,6,8-10,14H,1-2,5,7,11H2/t14-/m1/s1 |
| InChIK | VVKZNKQTINUECC-CQSZACIVSA-N |
| TotalMolweight | 421.811 |
| Molweight | 421.811 |
| MonoisotopicMass | 421.084077 |
| CLogP | 4.1944 |
| CLogS | -6.707 |
| H Acceptors | 8 |
| TotalSurfaceArea | 302.9 |
| Relative PSA | 0.27187 |
| PolarSurfaceArea | 113.23 |
| Druglikeness | -10.316 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine | 2 - (E)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine
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