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

Formula:C17H10N2O3Br2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3,5-dibromo-2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid is not a drug-like molecule.

MolName	3,5-dibromo-2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
MolecularFormula	C17H10N2O3Br2Cl2S
Smiles	OC(c1cc(Br)cc(Br)c1NC(NC(/C=C/c(ccc(Cl)c1)c1Cl)=O)=S)=O
InChI	InChI=1S/C17H10Br2Cl2N2O3S/c18-9-5-11(16(25)26)15(12(19)6-9)23-17(27)22-14(24)4-2-8-1-3-10(20)7-13(8)21/h1-7H,(H,25,26)(H2,22,23,24,27)
InChIK	XGALYFJYHPDUTE-UHFFFAOYSA-N
TotalMolweight	553.057
Molweight	553.057
MonoisotopicMass	549.815589
CLogP	5.4662
CLogS	-7.196
H Acceptors	5
H Donors	3
TotalSurfaceArea	325.1
Relative PSA	0.27715
PolarSurfaceArea	110.52
Druglikeness	-2.2414
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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