(E)-3-(4-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Formula:C17H18N3OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
MolecularFormula	C17H18N3OClS
Smiles	O=C(/C=C/c(cc1)ccc1Cl)Nc1nnc(C2CCCCC2)s1
InChI	InChI=1S/C17H18ClN3OS/c18-14-9-6-12(7-10-14)8-11-15(22)19-17-21-20-16(23-17)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,19,21,22)
InChIK	YESJZFCQPBFWLL-UHFFFAOYSA-N
TotalMolweight	347.869
Molweight	347.869
MonoisotopicMass	347.085909
CLogP	4.7221
CLogS	-5.208
H Acceptors	4
H Donors	1
TotalSurfaceArea	265.41
Relative PSA	0.25169
PolarSurfaceArea	83.12
Druglikeness	-2.2573
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	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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