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

Formula:C15H10N2O4I2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-3,5-diiodobenzoic acid is not a drug-like molecule.

MolName	2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-3,5-diiodobenzoic acid
MolecularFormula	C15H10N2O4I2S
Smiles	OC(c1cc(I)cc(I)c1NC(NC(/C=C/c1ccco1)=O)=S)=O
InChI	InChI=1S/C15H10I2N2O4S/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	QHNSUKMJEHJEEQ-UHFFFAOYSA-N
TotalMolweight	568.12
Molweight	568.12
MonoisotopicMass	567.845074
CLogP	2.8667
CLogS	-5.77
H Acceptors	6
H Donors	3
TotalSurfaceArea	299.25
Relative PSA	0.34824
PolarSurfaceArea	123.66
Druglikeness	0.34309
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
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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