3-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide

Formula:C16H11N2O2ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide is a drug-like molecule.

MolName	3-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide
MolecularFormula	C16H11N2O2ClS2
Smiles	O=C(/C=C/c1cccs1)NNC(c(sc1c2cccc1)c2Cl)=O
InChI	InChI=1S/C16H11ClN2O2S2/c17-14-11-5-1-2-6-12(11)23-15(14)16(21)19-18-13(20)8-7-10-4-3-9-22-10/h1-9H,(H,18,20)(H,19,21)
InChIK	WVGIDLRJAYRDAS-UHFFFAOYSA-N
TotalMolweight	362.86
Molweight	362.86
MonoisotopicMass	361.995045
CLogP	3.3406
CLogS	-5.775
H Acceptors	4
H Donors	2
TotalSurfaceArea	259.84
Relative PSA	0.34529
PolarSurfaceArea	114.68
Druglikeness	2.8226
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
StereoCon

Click to Load Molecule:

1 - 3-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide | 2 - 3-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide

Request More Details | 3-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments