(E)-N-[(furan-2-carbonylamino)carbamothioyl]-3-(furan-2-yl)prop-2-enamide

Formula:C13H11N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[(furan-2-carbonylamino)carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(furan-2-carbonylamino)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C13H11N3O4S
Smiles	O=C(/C=C/c1ccco1)NC(NNC(c1ccco1)=O)=S
InChI	InChI=1S/C13H11N3O4S/c17-11(6-5-9-3-1-7-19-9)14-13(21)16-15-12(18)10-4-2-8-20-10/h1-8H,(H,15,18)(H2,14,16,17,21)
InChIK	CKDWVSBLXKYKRO-UHFFFAOYSA-N
TotalMolweight	305.313
Molweight	305.313
MonoisotopicMass	305.047027
CLogP	0.5066
CLogS	-3.589
H Acceptors	7
H Donors	3
TotalSurfaceArea	241.49
Relative PSA	0.48317
PolarSurfaceArea	128.6
Druglikeness	1.5057
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Amides	1
StereoCon

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