N-[(Z)-(4-bromophenyl)methylideneamino]-3-cyclohexylpropanamide
Formula:C16H21N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-cyclohexylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-cyclohexylpropanamide |
| MolecularFormula | C16H21N2OBr |
| Smiles | O=C(CCC1CCCCC1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H21BrN2O/c17-15-9-6-14(7-10-15)12-18-19-16(20)11-8-13-4-2-1-3-5-13/h6-7,9-10,12-13H,1-5,8,11H2,(H,19,20) |
| InChIK | SOBIUUPEHIGGEI-UHFFFAOYSA-N |
| TotalMolweight | 337.26 |
| Molweight | 337.26 |
| MonoisotopicMass | 336.083724 |
| CLogP | 4.7359 |
| CLogS | -5.251 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 241.18 |
| Relative PSA | 0.14931 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -2.2948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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