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

Formula:C20H23N3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide is a drug-like molecule.

MolName	N-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide
MolecularFormula	C20H23N3FS
Smiles	Fc1cccc(NC(N2CC[NH+](C/C=C/c3ccccc3)CC2)=S)c1
InChI	InChI=1S/C20H22FN3S/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	JGOIIARNXWEQBU-UHFFFAOYSA-O
TotalMolweight	356.488
Molweight	356.488
MonoisotopicMass	356.15967
CLogP	2.0043
CLogS	-3.582
H Acceptors	3
H Donors	2
TotalSurfaceArea	299.98
Relative PSA	0.20201
PolarSurfaceArea	51.8
Druglikeness	0.062746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
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	7
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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