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

Formula:C19H19N4O5ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea is a drug-like molecule.

MolName	1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea
MolecularFormula	C19H19N4O5ClS2
Smiles	O=S(c(cc1)cc(NC(N/N=C\c(cc2)cc3c2OCO3)=S)c1Cl)(N1CCOCC1)=O
InChI	InChI=1S/C19H19ClN4O5S2/c20-15-3-2-14(31(25,26)24-5-7-27-8-6-24)10-16(15)22-19(30)23-21-11-13-1-4-17-18(9-13)29-12-28-17/h1-4,9-11H,5-8,12H2,(H2,22,23,30)
InChIK	JNRZQHJSBWIJOR-UHFFFAOYSA-N
TotalMolweight	482.968
Molweight	482.968
MonoisotopicMass	482.048538
CLogP	3.3524
CLogS	-4.974
H Acceptors	9
H Donors	2
TotalSurfaceArea	339.51
Relative PSA	0.36688
PolarSurfaceArea	141.96
Druglikeness	3.7749
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	3
Amides	1
StereoCon

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