[(E)-(2-chlorophenyl)methylideneamino] N-cyclohexylcarbamate
Formula:C14H17N2O2Cl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(E)-(2-chlorophenyl)methylideneamino] N-cyclohexylcarbamate is a drug-like molecule.
| MolName | [(E)-(2-chlorophenyl)methylideneamino] N-cyclohexylcarbamate |
| MolecularFormula | C14H17N2O2Cl |
| Smiles | O=C(NC1CCCCC1)O/N=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C14H17ClN2O2/c15-13-9-5-4-6-11(13)10-16-19-14(18)17-12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2,(H,17,18) |
| InChIK | DYWBBXAMAIBQJU-UHFFFAOYSA-N |
| TotalMolweight | 280.754 |
| Molweight | 280.754 |
| MonoisotopicMass | 280.097855 |
| CLogP | 4.365 |
| CLogS | -5.09 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.45 |
| Relative PSA | 0.20871 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -14.949 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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