(E)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

Formula:C16H12N3O2FS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C16H12N3O2FS
Smiles	O=C(/C=C/c1ccco1)Nc1nnc(Cc(cc2)ccc2F)s1
InChI	InChI=1S/C16H12FN3O2S/c17-12-5-3-11(4-6-12)10-15-19-20-16(23-15)18-14(21)8-7-13-2-1-9-22-13/h1-9H,10H2,(H,18,20,21)
InChIK	LFQOJHDCSCBVMF-UHFFFAOYSA-N
TotalMolweight	329.354
Molweight	329.354
MonoisotopicMass	329.063425
CLogP	3.0847
CLogS	-4.412
H Acceptors	5
H Donors	1
TotalSurfaceArea	251.75
Relative PSA	0.32139
PolarSurfaceArea	96.26
Druglikeness	1.3166
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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