(E)-3-(4-chlorophenyl)-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide

Formula:C18H12N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide
MolecularFormula	C18H12N5OClS
Smiles	O=C(/C=C/c(cc1)ccc1Cl)Nc(cc1)ccc1-c(s1)nn2c1nnc2
InChI	InChI=1S/C18H12ClN5OS/c19-14-6-1-12(2-7-14)3-10-16(25)21-15-8-4-13(5-9-15)17-23-24-11-20-22-18(24)26-17/h1-11H,(H,21,25)
InChIK	COCYXXUOCZIZRR-UHFFFAOYSA-N
TotalMolweight	381.846
Molweight	381.846
MonoisotopicMass	381.045107
CLogP	3.257
CLogS	-2.883
H Acceptors	6
H Donors	1
TotalSurfaceArea	281.38
Relative PSA	0.30464
PolarSurfaceArea	100.42
Druglikeness	3.2754
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - (E)-3-(4-chlorophenyl)-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide | 2 - (E)-3-(4-chlorophenyl)-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide

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