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

Formula:C11H7N4FS Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)prop-2-enenitrile
MolecularFormula	C11H7N4FS
Smiles	Nc1nnc(/C(/C#N)=C/c(cccc2)c2F)s1
InChI	InChI=1S/C11H7FN4S/c12-9-4-2-1-3-7(9)5-8(6-13)10-15-16-11(14)17-10/h1-5H,(H2,14,16)
InChIK	CHNGKMYUXAYICJ-UHFFFAOYSA-N
TotalMolweight	246.269
Molweight	246.269
MonoisotopicMass	246.037544
CLogP	1.5991
CLogS	-3.226
H Acceptors	4
H Donors	1
TotalSurfaceArea	187.77
Relative PSA	0.37881
PolarSurfaceArea	103.83
Druglikeness	-3.24
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	2
StereoCon

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