(E)-2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile

Formula:C9H6N4OS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
MolecularFormula	C9H6N4OS
Smiles	Nc1nnc(/C(/C#N)=C/c2ccco2)s1
InChI	InChI=1S/C9H6N4OS/c10-5-6(4-7-2-1-3-14-7)8-12-13-9(11)15-8/h1-4H,(H2,11,13)
InChIK	VRQADNMLAKODCF-UHFFFAOYSA-N
TotalMolweight	218.24
Molweight	218.24
MonoisotopicMass	218.026231
CLogP	0.687
CLogS	-2.594
H Acceptors	5
H Donors	1
TotalSurfaceArea	171.11
Relative PSA	0.49816
PolarSurfaceArea	116.97
Druglikeness	-2.1991
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	15
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Aromatic Nitrogens	2
StereoCon

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