Molecule

ID:70067

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₄
Molecular Mass
196.19988
Exact Mass
196.07355886
Charge
0
InChI
InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
InChIKey
YXUIOVUOFQKWDM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)cc(c1)C(=O)OC
Isomeric Smiles
C(=O)(c1cc(cc(c1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6613803
LogD (pH = 7.4)
1.6613803
Log P
1.6613803
Molar Refractivity
51.0097
Polarizability
19.813969
Polar Surface Area
44.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation