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

Formula:C17H11N2O3Br2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 3,5-dibromo-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid is not a drug-like molecule.

MolName	3,5-dibromo-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
MolecularFormula	C17H11N2O3Br2ClS
Smiles	OC(c1cc(Br)cc(Br)c1NC(NC(/C=C/c(cc1)ccc1Cl)=O)=S)=O
InChI	InChI=1S/C17H11Br2ClN2O3S/c18-10-7-12(16(24)25)15(13(19)8-10)22-17(26)21-14(23)6-3-9-1-4-11(20)5-2-9/h1-8H,(H,24,25)(H2,21,22,23,26)
InChIK	ZUCMWSQTVAOJCC-UHFFFAOYSA-N
TotalMolweight	518.612
Molweight	518.612
MonoisotopicMass	515.854562
CLogP	4.8602
CLogS	-6.46
H Acceptors	5
H Donors	3
TotalSurfaceArea	309.68
Relative PSA	0.29095
PolarSurfaceArea	110.52
Druglikeness	-2.2414
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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