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

Formula:C24H26N3S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-naphthalen-1-yl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide is a drug-like molecule.

MolName	N-naphthalen-1-yl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide
MolecularFormula	C24H26N3S
Smiles	S=C(Nc1cccc2ccccc12)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C24H25N3S/c28-24(25-23-14-6-12-21-11-4-5-13-22(21)23)27-18-16-26(17-19-27)15-7-10-20-8-2-1-3-9-20/h1-14H,15-19H2,(H,25,28)/p+1
InChIK	IEUCTEODZBJMPN-UHFFFAOYSA-O
TotalMolweight	388.557
Molweight	388.557
MonoisotopicMass	388.184742
CLogP	3.0979
CLogS	-4.874
H Acceptors	3
H Donors	2
TotalSurfaceArea	328.23
Relative PSA	0.18463
PolarSurfaceArea	51.8
Druglikeness	1.4027
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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