N-(2-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide

Formula:C22H28N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide is a drug-like molecule.

MolName	N-(2-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide
MolecularFormula	C22H28N3OCl
Smiles	O=C(CC[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1)Nc(cccc1)c1Cl
InChI	InChI=1S/C22H26ClN3O/c23-20-10-4-5-11-21(20)24-22(27)12-14-26-17-15-25(16-18-26)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2,(H,24,27)/p+2
InChIK	LYKLYIQPLLVGDC-UHFFFAOYSA-P
TotalMolweight	385.937
Molweight	385.937
MonoisotopicMass	385.192089
CLogP	-0.2445
CLogS	-3.496
H Acceptors	4
H Donors	3
TotalSurfaceArea	335.65
Relative PSA	0.1778
PolarSurfaceArea	37.98
Druglikeness	0.93715
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	1
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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