(E)-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(furan-2-yl)prop-2-enamide

Formula:C16H20N2O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C16H20N2O2S
Smiles	O=C(/C=C/c1ccco1)NC(NCCC1=CCCCC1)=S
InChI	InChI=1S/C16H20N2O2S/c19-15(9-8-14-7-4-12-20-14)18-16(21)17-11-10-13-5-2-1-3-6-13/h4-5,7-9,12H,1-3,6,10-11H2,(H2,17,18,19,21)
InChIK	LLMGWOLASRYJCT-UHFFFAOYSA-N
TotalMolweight	304.413
Molweight	304.413
MonoisotopicMass	304.124548
CLogP	2.899
CLogS	-3.85
H Acceptors	4
H Donors	2
TotalSurfaceArea	256.6
Relative PSA	0.30425
PolarSurfaceArea	86.36
Druglikeness	-5.3435
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	7
Amides	1
StereoCon

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