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

Formula:C18H12N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C18H12N3O3ClS
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc1nnc(-c(cccc2)c2Cl)s1
InChI	InChI=1S/C18H12ClN3O3S/c19-13-4-2-1-3-12(13)17-21-22-18(26-17)20-16(23)8-6-11-5-7-14-15(9-11)25-10-24-14/h1-9H,10H2,(H,20,22,23)
InChIK	AFUSOOUGRRYVMW-UHFFFAOYSA-N
TotalMolweight	385.83
Molweight	385.83
MonoisotopicMass	385.028789
CLogP	4.5217
CLogS	-5.449
H Acceptors	6
H Donors	1
TotalSurfaceArea	277.63
Relative PSA	0.31265
PolarSurfaceArea	101.58
Druglikeness	2.4591
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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