1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(3,4-dichlorophenyl)methylideneamino]thiourea

Formula:C18H17N4O3Cl3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(3,4-dichlorophenyl)methylideneamino]thiourea is not a drug-like molecule.

MolName	1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(3,4-dichlorophenyl)methylideneamino]thiourea
MolecularFormula	C18H17N4O3Cl3S2
Smiles	O=S(c(cc1)cc(NC(N/N=C\c(cc2)cc(Cl)c2Cl)=S)c1Cl)(N1CCOCC1)=O
InChI	InChI=1S/C18H17Cl3N4O3S2/c19-14-3-1-12(9-16(14)21)11-22-24-18(29)23-17-10-13(2-4-15(17)20)30(26,27)25-5-7-28-8-6-25/h1-4,9-11H,5-8H2,(H2,23,24,29)
InChIK	ROVIYNOZKGIDNQ-UHFFFAOYSA-N
TotalMolweight	507.849
Molweight	507.849
MonoisotopicMass	505.980762
CLogP	4.453
CLogS	-5.735
H Acceptors	7
H Donors	2
TotalSurfaceArea	350.09
Relative PSA	0.29867
PolarSurfaceArea	123.5
Druglikeness	3.921
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	3
Amides	1
StereoCon

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