(E)-3-(2-chlorophenyl)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Formula:C22H16N3OClS2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C22H16N3OClS2
Smiles	O=C(/C=C/c(cccc1)c1Cl)Nc1nnc(SCc2cccc3ccccc23)s1
InChI	InChI=1S/C22H16ClN3OS2/c23-19-11-4-2-7-16(19)12-13-20(27)24-21-25-26-22(29-21)28-14-17-9-5-8-15-6-1-3-10-18(15)17/h1-13H,14H2,(H,24,25,27)
InChIK	JGMIWGVMJOLJIJ-UHFFFAOYSA-N
TotalMolweight	437.974
Molweight	437.974
MonoisotopicMass	437.042329
CLogP	6.2358
CLogS	-8.048
H Acceptors	4
H Donors	1
TotalSurfaceArea	323.22
Relative PSA	0.26078
PolarSurfaceArea	108.42
Druglikeness	1.8725
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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