2-chloro-5-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate

Formula:C15H10N2O4ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-chloro-5-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate is a drug-like molecule.

MolName	2-chloro-5-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate
MolecularFormula	C15H10N2O4ClS
Smiles	[O-]C(c(cc(cc1)NC(NC(/C=C/c2ccco2)=O)=S)c1Cl)=O
InChI	InChI=1S/C15H11ClN2O4S/c16-12-5-3-9(8-11(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)/p-1
InChIK	FEEAWWOSZBXEMT-UHFFFAOYSA-M
TotalMolweight	349.773
Molweight	349.773
MonoisotopicMass	349.00498
CLogP	0.5225
CLogS	-4.474
H Acceptors	6
H Donors	2
TotalSurfaceArea	263.29
Relative PSA	0.40028
PolarSurfaceArea	126.49
Druglikeness	0.066703
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6087
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

Click to Load Molecule:

1 - 2-chloro-5-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate | 2 - 2-chloro-5-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate

Request More Details | 2-chloro-5-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments