1,3-benzodioxol-5-yl (E)-3-(2-chlorophenyl)prop-2-enoate

Formula:C16H11O4Cl Mutagenic:none Tumorigenic:high Reproductive Effective:high 1,3-benzodioxol-5-yl (E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	1,3-benzodioxol-5-yl (E)-3-(2-chlorophenyl)prop-2-enoate
MolecularFormula	C16H11O4Cl
Smiles	O=C(/C=C/c(cccc1)c1Cl)Oc(cc1)cc2c1OCO2
InChI	InChI=1S/C16H11ClO4/c17-13-4-2-1-3-11(13)5-8-16(18)21-12-6-7-14-15(9-12)20-10-19-14/h1-9H,10H2
InChIK	MLXVMLNTCBUGDJ-UHFFFAOYSA-N
TotalMolweight	302.712
Molweight	302.712
MonoisotopicMass	302.034587
CLogP	4.1367
CLogS	-4.903
H Acceptors	4
TotalSurfaceArea	222.95
Relative PSA	0.19305
PolarSurfaceArea	44.76
Druglikeness	-3.1693
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
StereoCon

Click to Load Molecule:

1 - 1,3-benzodioxol-5-yl (E)-3-(2-chlorophenyl)prop-2-enoate | 2 - 1,3-benzodioxol-5-yl (E)-3-(2-chlorophenyl)prop-2-enoate

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments