3,5-dichloro-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid

Formula:C15H10N2O4Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3,5-dichloro-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid is a drug-like molecule.

MolName	3,5-dichloro-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid
MolecularFormula	C15H10N2O4Cl2S
Smiles	OC(c1cc(Cl)cc(Cl)c1NC(NC(/C=C/c1ccco1)=O)=S)=O
InChI	InChI=1S/C15H10Cl2N2O4S/c16-8-6-10(14(21)22)13(11(17)7-8)19-15(24)18-12(20)4-3-9-2-1-5-23-9/h1-7H,(H,21,22)(H2,18,19,20,24)
InChIK	GAFLTQZLIGWWCS-UHFFFAOYSA-N
TotalMolweight	385.226
Molweight	385.226
MonoisotopicMass	383.973832
CLogP	3.2045
CLogS	-5.21
H Acceptors	6
H Donors	3
TotalSurfaceArea	277.53
Relative PSA	0.37549
PolarSurfaceArea	123.66
Druglikeness	-0.0737
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
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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