Name: 7-[2-(2,4-Dichloro-phenyl)-ethoxy]-benzo[1,3]dioxole-5-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc(OCCc2ccc(Cl)cc2Cl)c2c(c1)OCO2Molecular Processing
Molecular formula
C18H16Cl2O5
Molecular weight
383.23
Exact mass
382.0375
XLogP
4.52
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
94.18
Supplementary Information
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