Molecule

ID:125517

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3
InChIKey
DHLPMLVSBRRUGA-UHFFFAOYSA-N
Canonic Smiles
CC1OC(=O)c2c(C1)cc(cc2O)O
Isomeric Smiles
O=C1OC(Cc2cc(O)cc(O)c12)C
Calculated Properties
JChem
Acid pKa
8.509927
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2756345
LogD (pH = 7.4)
2.2437925
Log P
2.2760556
Molar Refractivity
49.7735
Polarizability
18.962225
Polar Surface Area
66.76
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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