(E)-2-(benzenesulfonyl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile

Formula:C16H11NO4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-2-(benzenesulfonyl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(benzenesulfonyl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile
MolecularFormula	C16H11NO4S
Smiles	N#C/C(/S(c1ccccc1)(=O)=O)=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C16H11NO4S/c17-10-14(22(18,19)13-4-2-1-3-5-13)8-12-6-7-15-16(9-12)21-11-20-15/h1-9H,11H2
InChIK	HVWWVMVGGXJMBU-UHFFFAOYSA-N
TotalMolweight	313.332
Molweight	313.332
MonoisotopicMass	313.040879
CLogP	2.5209
CLogS	-4.954
H Acceptors	5
TotalSurfaceArea	228.28
Relative PSA	0.27221
PolarSurfaceArea	84.77
Druglikeness	-12.117
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	3
StereoCon

Click to Load Molecule:

1 - (E)-2-(benzenesulfonyl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile | 2 - (E)-2-(benzenesulfonyl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile

Request More Details | (E)-2-(benzenesulfonyl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments