Molecule

ID:108103

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3
InChIKey
VHVOLFRBFDOUSH-UHFFFAOYSA-N
Canonic Smiles
C/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
C/C=C/c1ccc2OCOc2c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7198164
LogD (pH = 7.4)
2.7198164
Log P
2.7198164
Molar Refractivity
47.1847
Polarizability
18.145624
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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