2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone
Molecular Formula : C21H24N2O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone is a drug-like molecule.
MolName : 2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone |
MolecularFormula : C21H24N2O2Cl |
Smiles : O=C(COc(cc1)ccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
InChI : InChI=1S/C21H23ClN2O2/c22-19-8-10-20(11-9-19)26-17-21(25)24-15-13-23(14-16-24)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/p+1 |
InChIK : CYWUXGITLJRRDK-UHFFFAOYSA-O |
TotalMolweight : 371.887 |
Molweight : 371.887 |
MonoisotopicMass : 371.15263 |
CLogP : 1.6938 |
CLogS : -3.184 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 306.39 |
Relative PSA : 0.1442 |
PolarSurfaceArea : 33.98 |
Druglikeness : 2.9498 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.73077 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Symmetricatoms : 6 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |