1-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
Molecular Formula : C19H22N2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |1-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium is a drug-like molecule.
MolName : 1-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium |
MolecularFormula : C19H22N2F |
Smiles : Fc(cccc1)c1N1CC[NH+](C/C=C/c2ccccc2)CC1 |
InChI : InChI=1S/C19H21FN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/p+1 |
InChIK : WCXGEYWLFOPIDP-UHFFFAOYSA-O |
TotalMolweight : 297.396 |
Molweight : 297.396 |
MonoisotopicMass : 297.176701 |
CLogP : 1.6084 |
CLogS : -3.375 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 255.81 |
Relative PSA : 0.082639 |
PolarSurfaceArea : 7.68 |
Druglikeness : 0.26044 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amines : 2 |
AlkylAmines : 1 |
Aromatic Amines : 1 |
BasicNitrogens : 1 |
StereoCon : |