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

Formula:C22H14N4O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[5-[(E)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.

MolName	N-[5-[(E)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C22H14N4O2S
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c1ccc(-c2ccccc2)o1
InChI	InChI=1S/C22H14N4O2S/c23-14-17(13-18-11-12-19(28-18)15-7-3-1-4-8-15)21-25-26-22(29-21)24-20(27)16-9-5-2-6-10-16/h1-13H,(H,24,26,27)
InChIK	PIOICQILTGOONQ-UHFFFAOYSA-N
TotalMolweight	398.445
Molweight	398.445
MonoisotopicMass	398.083746
CLogP	4.262
CLogS	-5.808
H Acceptors	6
H Donors	1
TotalSurfaceArea	311.32
Relative PSA	0.30345
PolarSurfaceArea	120.05
Druglikeness	0.71482
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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