(4-phenylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
Molecular Formula : C26H27N2O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(4-phenylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone is a drug-like molecule.
MolName : (4-phenylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone |
MolecularFormula : C26H27N2O |
Smiles : O=C(c(cc1)ccc1-c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
InChI : InChI=1S/C26H26N2O/c29-26(25-15-13-24(14-16-25)23-11-5-2-6-12-23)28-20-18-27(19-21-28)17-7-10-22-8-3-1-4-9-22/h1-16H,17-21H2/p+1 |
InChIK : VBANWOHCRNNRNF-UHFFFAOYSA-O |
TotalMolweight : 383.513 |
Molweight : 383.513 |
MonoisotopicMass : 383.212338 |
CLogP : 3.1721 |
CLogS : -4.754 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 326.97 |
Relative PSA : 0.10454 |
PolarSurfaceArea : 24.75 |
Druglikeness : 2.9416 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68966 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 6 |
Symmetricatoms : 8 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |