2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-3,5-diiodobenzoic acid

Formula:C17H11N2O3ClI2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-3,5-diiodobenzoic acid is not a drug-like molecule.

MolName	2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-3,5-diiodobenzoic acid
MolecularFormula	C17H11N2O3ClI2S
Smiles	OC(c1cc(I)cc(I)c1NC(NC(/C=C/c(cc1)ccc1Cl)=O)=S)=O
InChI	InChI=1S/C17H11ClI2N2O3S/c18-10-4-1-9(2-5-10)3-6-14(23)21-17(26)22-15-12(16(24)25)7-11(19)8-13(15)20/h1-8H,(H,24,25)(H2,21,22,23,26)
InChIK	DSDRKTUEXOGFNE-UHFFFAOYSA-N
TotalMolweight	612.604
Molweight	612.604
MonoisotopicMass	611.826836
CLogP	4.284
CLogS	-6.824
H Acceptors	5
H Donors	3
TotalSurfaceArea	324.98
Relative PSA	0.27725
PolarSurfaceArea	110.52
Druglikeness	0.10336
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-3,5-diiodobenzoic acid | 2 - 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-3,5-diiodobenzoic acid

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