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

Formula:C20H23N3OF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide is a drug-like molecule.

MolName	N-(4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide
MolecularFormula	C20H23N3OF
Smiles	O=C(Nc(cc1)ccc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C20H22FN3O/c21-18-8-10-19(11-9-18)22-20(25)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2,(H,22,25)/p+1
InChIK	VKJMTDRGVCGQAB-UHFFFAOYSA-O
TotalMolweight	340.421
Molweight	340.421
MonoisotopicMass	340.182515
CLogP	1.6076
CLogS	-3.498
H Acceptors	4
H Donors	2
TotalSurfaceArea	285.02
Relative PSA	0.16013
PolarSurfaceArea	36.78
Druglikeness	1.6689
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72
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	6
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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