[(E)-(4-bromophenyl)methylideneamino] N-cyclohexylcarbamate
Formula:C14H17N2O2Br
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(E)-(4-bromophenyl)methylideneamino] N-cyclohexylcarbamate is a drug-like molecule.
| MolName | [(E)-(4-bromophenyl)methylideneamino] N-cyclohexylcarbamate |
| MolecularFormula | C14H17N2O2Br |
| Smiles | O=C(NC1CCCCC1)O/N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C14H17BrN2O2/c15-12-8-6-11(7-9-12)10-16-19-14(18)17-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,17,18) |
| InChIK | AWONIKSGHQXZJE-UHFFFAOYSA-N |
| TotalMolweight | 325.205 |
| Molweight | 325.205 |
| MonoisotopicMass | 324.047339 |
| CLogP | 4.4842 |
| CLogS | -5.188 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.66 |
| Relative PSA | 0.20571 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -16.809 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(4-bromophenyl)methylideneamino] N-cyclohexylcarbamate | 2 - [(E)-(4-bromophenyl)methylideneamino] N-cyclohexylcarbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off