Molecule

ID:122857

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey
RTBQQRFTCVDODF-UHFFFAOYSA-N
Canonic Smiles
COc1cc2ccccc2cc1C(=O)O
Isomeric Smiles
c1(cc2c(cc1OC)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6315699
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.59774023
LogD (pH = 7.4)
-0.86912644
Log P
2.4626343
Molar Refractivity
56.2276
Polarizability
22.677187
Polar Surface Area
46.53
Rotatable Bonds
2
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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