N-[5-[(E)-1-cyano-2-(4-fluorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C18H11N4OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[(E)-1-cyano-2-(4-fluorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.

MolName	N-[5-[(E)-1-cyano-2-(4-fluorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C18H11N4OFS
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c(cc1)ccc1F
InChI	InChI=1S/C18H11FN4OS/c19-15-8-6-12(7-9-15)10-14(11-20)17-22-23-18(25-17)21-16(24)13-4-2-1-3-5-13/h1-10H,(H,21,23,24)
InChIK	WIHQSLYNQRRXMF-UHFFFAOYSA-N
TotalMolweight	350.376
Molweight	350.376
MonoisotopicMass	350.063759
CLogP	3.4239
CLogS	-4.662
H Acceptors	5
H Donors	1
TotalSurfaceArea	268.22
Relative PSA	0.2996
PolarSurfaceArea	106.91
Druglikeness	-1.5044
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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