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

Formula:C15H10N2O4Br2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3,5-dibromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid is a drug-like molecule.

MolName	3,5-dibromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid
MolecularFormula	C15H10N2O4Br2S
Smiles	OC(c1cc(Br)cc(Br)c1NC(NC(/C=C/c1ccco1)=O)=S)=O
InChI	InChI=1S/C15H10Br2N2O4S/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	GWLCIDYVHMCUGT-UHFFFAOYSA-N
TotalMolweight	474.128
Molweight	474.128
MonoisotopicMass	471.8728
CLogP	3.4429
CLogS	-5.406
H Acceptors	6
H Donors	3
TotalSurfaceArea	283.95
Relative PSA	0.367
PolarSurfaceArea	123.66
Druglikeness	-1.9601
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

Click to Load Molecule:

1 - 3,5-dibromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid | 2 - 3,5-dibromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid

Request More Details | 3,5-dibromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments