(E)-N-[(4-chlorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine
Formula:C19H18N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(4-chlorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine is a drug-like molecule.
| MolName | (E)-N-[(4-chlorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine |
| MolecularFormula | C19H18N3O5Cl |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N/OCc(cc2)ccc2Cl)cc1)=O |
| InChI | InChI=1S/C19H18ClN3O5/c20-14-7-5-13(6-8-14)12-28-21-18-4-2-1-3-16(18)17-10-9-15(22(24)25)11-19(17)23(26)27/h5-11,16H,1-4,12H2/t16-/m1/s1 |
| InChIK | DDXJTNNYJDQXBU-MRXNPFEDSA-N |
| TotalMolweight | 403.821 |
| Molweight | 403.821 |
| MonoisotopicMass | 403.093499 |
| CLogP | 4.0936 |
| CLogS | -6.393 |
| H Acceptors | 8 |
| TotalSurfaceArea | 296.55 |
| Relative PSA | 0.27769 |
| PolarSurfaceArea | 113.23 |
| Druglikeness | -8.9762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - (E)-N-[(4-chlorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine | 2 - (E)-N-[(4-chlorophenyl)methoxy]-2-(2,4-dinitrophenyl)cyclohexan-1-imine
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