4-bromo-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C17H12N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C17H12N3OBrS
Smiles	O=C(c(cc1)ccc1Br)Nc1nnc(/C=C/c2ccccc2)s1
InChI	InChI=1S/C17H12BrN3OS/c18-14-9-7-13(8-10-14)16(22)19-17-21-20-15(23-17)11-6-12-4-2-1-3-5-12/h1-11H,(H,19,21,22)
InChIK	WYWBIQUPGGTBQA-UHFFFAOYSA-N
TotalMolweight	386.272
Molweight	386.272
MonoisotopicMass	384.988443
CLogP	4.5823
CLogS	-5.305
H Acceptors	4
H Donors	1
TotalSurfaceArea	260.58
Relative PSA	0.25635
PolarSurfaceArea	83.12
Druglikeness	2.0749
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
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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