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

Formula:C17H10N2O3Cl2I2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-3,5-diiodobenzoic acid is not a drug-like molecule.

MolName	2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-3,5-diiodobenzoic acid
MolecularFormula	C17H10N2O3Cl2I2S
Smiles	OC(c1cc(I)cc(I)c1NC(NC(/C=C/c(ccc(Cl)c1)c1Cl)=O)=S)=O
InChI	InChI=1S/C17H10Cl2I2N2O3S/c18-9-3-1-8(12(19)5-9)2-4-14(24)22-17(27)23-15-11(16(25)26)6-10(20)7-13(15)21/h1-7H,(H,25,26)(H2,22,23,24,27)
InChIK	OMVSZSGYLSYOAQ-UHFFFAOYSA-N
TotalMolweight	647.049
Molweight	647.049
MonoisotopicMass	645.787863
CLogP	4.89
CLogS	-7.56
H Acceptors	5
H Donors	3
TotalSurfaceArea	340.4
Relative PSA	0.26469
PolarSurfaceArea	110.52
Druglikeness	0.10336
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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

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