1-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-naphthalen-1-ylthiourea

Formula:C24H18N3O2ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-naphthalen-1-ylthiourea is not a drug-like molecule.

MolName	1-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-naphthalen-1-ylthiourea
MolecularFormula	C24H18N3O2ClS2
Smiles	O=S(c(cc1)ccc1Cl)(/N=C(\c1ccccc1)/NC(Nc1cccc2ccccc12)=S)=O
InChI	InChI=1S/C24H18ClN3O2S2/c25-19-13-15-20(16-14-19)32(29,30)28-23(18-8-2-1-3-9-18)27-24(31)26-22-12-6-10-17-7-4-5-11-21(17)22/h1-16H,(H2,26,27,28,31)
InChIK	GWZRFBCRPLJSER-UHFFFAOYSA-N
TotalMolweight	480.011
Molweight	480.011
MonoisotopicMass	479.052894
CLogP	5.9925
CLogS	-7.107
H Acceptors	5
H Donors	2
TotalSurfaceArea	349.98
Relative PSA	0.26004
PolarSurfaceArea	111.03
Druglikeness	2.6352
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	5
BasicNitrogens	1
StereoCon

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