Molecule

ID:69637

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O
Molecular Mass
158.1965
Exact Mass
158.07316494
Charge
0
InChI
InChI=1S/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7,12H,1H3
InChIKey
SRJCJJKWVSSELL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1O)cccc2
Isomeric Smiles
c1(c(ccc2ccccc12)C)O
Calculated Properties
JChem
Acid pKa
9.964863
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1725638
LogD (pH = 7.4)
3.1714044
Log P
3.1725786
Molar Refractivity
49.5303
Polarizability
20.31086
Polar Surface Area
20.23
Rotatable Bonds
0
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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