(4-chlorophenyl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Formula:C18H15O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4-chlorophenyl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate is a drug-like molecule.

MolName	(4-chlorophenyl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
MolecularFormula	C18H15O4Cl
Smiles	O=C(/C=C/c(cc1)cc2c1OCCO2)OCc(cc1)ccc1Cl
InChI	InChI=1S/C18H15ClO4/c19-15-5-1-14(2-6-15)12-23-18(20)8-4-13-3-7-16-17(11-13)22-10-9-21-16/h1-8,11H,9-10,12H2
InChIK	NHCXZVJNCKLJAG-UHFFFAOYSA-N
TotalMolweight	330.766
Molweight	330.766
MonoisotopicMass	330.065887
CLogP	3.9047
CLogS	-4.368
H Acceptors	4
TotalSurfaceArea	250.47
Relative PSA	0.17184
PolarSurfaceArea	44.76
Druglikeness	-9.9571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - (4-chlorophenyl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate | 2 - (4-chlorophenyl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Request More Details | (4-chlorophenyl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments