2-chloro-4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid

Formula:C15H11N2O4ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-chloro-4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid is a drug-like molecule.

MolName	2-chloro-4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid
MolecularFormula	C15H11N2O4ClS
Smiles	OC(c(ccc(NC(NC(/C=C/c1ccco1)=O)=S)c1)c1Cl)=O
InChI	InChI=1S/C15H11ClN2O4S/c16-12-8-9(3-5-11(12)14(20)21)17-15(23)18-13(19)6-4-10-2-1-7-22-10/h1-8H,(H,20,21)(H2,17,18,19,23)
InChIK	QDXUZISWYSELAB-UHFFFAOYSA-N
TotalMolweight	350.781
Molweight	350.781
MonoisotopicMass	350.012805
CLogP	2.5985
CLogS	-4.474
H Acceptors	6
H Donors	3
TotalSurfaceArea	262.11
Relative PSA	0.39758
PolarSurfaceArea	123.66
Druglikeness	-0.0737
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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