N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

Formula:C20H23N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide is a drug-like molecule.

MolName	N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide
MolecularFormula	C20H23N3OCl
Smiles	O=C(Nc1cccc(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C20H22ClN3O/c21-18-9-4-10-19(16-18)22-20(25)24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,22,25)/p+1
InChIK	IRJPVHSCLVFFMC-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	none
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

Click to Load Molecule:

1 - N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide | 2 - N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

Request More Details | N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments