1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(4-chlorophenyl)thiourea

Formula:C20H16N3O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(4-chlorophenyl)thiourea is a drug-like molecule.

MolName	1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(4-chlorophenyl)thiourea
MolecularFormula	C20H16N3O2ClS2
Smiles	O=S(c1ccccc1)(/N=C(\c1ccccc1)/NC(Nc(cc1)ccc1Cl)=S)=O
InChI	InChI=1S/C20H16ClN3O2S2/c21-16-11-13-17(14-12-16)22-20(27)23-19(15-7-3-1-4-8-15)24-28(25,26)18-9-5-2-6-10-18/h1-14H,(H2,22,23,24,27)
InChIK	JGFWUUNRFQPDKF-UHFFFAOYSA-N
TotalMolweight	429.951
Molweight	429.951
MonoisotopicMass	429.037244
CLogP	4.7981
CLogS	-5.501
H Acceptors	5
H Donors	2
TotalSurfaceArea	315.38
Relative PSA	0.28857
PolarSurfaceArea	111.03
Druglikeness	-4.7783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	7
BasicNitrogens	1
StereoCon

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