[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
Molecular Formula : C19H22N3O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone is a drug-like molecule.
MolName : [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone |
MolecularFormula : C19H22N3O |
Smiles : O=C(c1cnccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
InChI : InChI=1S/C19H21N3O/c23-19(18-9-4-10-20-16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2/p+1 |
InChIK : MRFMFSULFIYLMW-UHFFFAOYSA-O |
TotalMolweight : 308.404 |
Molweight : 308.404 |
MonoisotopicMass : 308.176287 |
CLogP : 0.512 |
CLogS : -1.873 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 265.97 |
Relative PSA : 0.16976 |
PolarSurfaceArea : 37.64 |
Druglikeness : 2.9416 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.69565 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |