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

Formula:C18H12N3OCl3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C18H12N3OCl3S2
Smiles	O=C(/C=C/c(cc1)ccc1Cl)Nc1nnc(SCc(ccc(Cl)c2)c2Cl)s1
InChI	InChI=1S/C18H12Cl3N3OS2/c19-13-5-1-11(2-6-13)3-8-16(25)22-17-23-24-18(27-17)26-10-12-4-7-14(20)9-15(12)21/h1-9H,10H2,(H,22,23,25)
InChIK	HLLGPAJWLQEWIV-UHFFFAOYSA-N
TotalMolweight	456.804
Molweight	456.804
MonoisotopicMass	454.948733
CLogP	6.2534
CLogS	-7.914
H Acceptors	4
H Donors	1
TotalSurfaceArea	319.46
Relative PSA	0.26385
PolarSurfaceArea	108.42
Druglikeness	1.8725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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