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

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

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