(E)-2-(2,4-dinitrophenyl)-N-[(4-fluorophenyl)methoxy]cyclohexan-1-imine
Formula:C19H18N3O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2,4-dinitrophenyl)-N-[(4-fluorophenyl)methoxy]cyclohexan-1-imine is a drug-like molecule.
| MolName | (E)-2-(2,4-dinitrophenyl)-N-[(4-fluorophenyl)methoxy]cyclohexan-1-imine |
| MolecularFormula | C19H18N3O5F |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N/OCc(cc2)ccc2F)cc1)=O |
| InChI | InChI=1S/C19H18FN3O5/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 | YVLYOZLSBBAAJJ-MRXNPFEDSA-N |
| TotalMolweight | 387.366 |
| Molweight | 387.366 |
| MonoisotopicMass | 387.12305 |
| CLogP | 3.5884 |
| CLogS | -5.971 |
| H Acceptors | 8 |
| TotalSurfaceArea | 287.48 |
| Relative PSA | 0.28645 |
| PolarSurfaceArea | 113.23 |
| Druglikeness | -10.396 |
| 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)-2-(2,4-dinitrophenyl)-N-[(4-fluorophenyl)methoxy]cyclohexan-1-imine | 2 - (E)-2-(2,4-dinitrophenyl)-N-[(4-fluorophenyl)methoxy]cyclohexan-1-imine
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