[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-cyclohexylpropanoate
Formula:C21H26N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-cyclohexylpropanoate is not a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-cyclohexylpropanoate |
| MolecularFormula | C21H26N2O2 |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(CCC1CCCCC1)=O |
| InChI | InChI=1S/C21H26N2O2/c22-20(15-18-11-6-10-17-9-4-5-12-19(17)18)23-25-21(24)14-13-16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13-15H2,(H2,22,23) |
| InChIK | PEUKSRFBHBWFHT-UHFFFAOYSA-N |
| TotalMolweight | 338.449 |
| Molweight | 338.449 |
| MonoisotopicMass | 338.199428 |
| CLogP | 5.0737 |
| CLogS | -5.803 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.18 |
| Relative PSA | 0.18039 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -9.4501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-cyclohexylpropanoate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-cyclohexylpropanoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off