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

Formula:C22H13N4O2FS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[5-[(E)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.

MolName	N-[5-[(E)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C22H13N4O2FS
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c1ccc(-c(cccc2)c2F)o1
InChI	InChI=1S/C22H13FN4O2S/c23-18-9-5-4-8-17(18)19-11-10-16(29-19)12-15(13-24)21-26-27-22(30-21)25-20(28)14-6-2-1-3-7-14/h1-12H,(H,25,27,28)
InChIK	ZLMWQUIXVBGNNO-UHFFFAOYSA-N
TotalMolweight	416.435
Molweight	416.435
MonoisotopicMass	416.074324
CLogP	4.3628
CLogS	-6.122
H Acceptors	6
H Donors	1
TotalSurfaceArea	317.67
Relative PSA	0.29738
PolarSurfaceArea	120.05
Druglikeness	-0.62518
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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