N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide
Molecular Formula : C20H23N3OCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide is a drug-like molecule.
MolName : N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide |
MolecularFormula : C20H23N3OCl |
Smiles : O=C(Nc(cccc1)c1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
InChI : InChI=1S/C20H22ClN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H,22,25)/p+1 |
InChIK : MSZUEQKXBWJWSN-UHFFFAOYSA-O |
TotalMolweight : 356.876 |
Molweight : 356.876 |
MonoisotopicMass : 356.152964 |
CLogP : 2.1128 |
CLogS : -3.92 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 294.09 |
Relative PSA : 0.15519 |
PolarSurfaceArea : 36.78 |
Druglikeness : 3.0673 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : low |
Nasty Functions : |
Shape Index : 0.68 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
Amides : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |