Molecule

ID:135365

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O
Molecular Mass
176.16312903
Exact Mass
176.09329397
Charge
0
InChI
InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H/i1+1,2+1,3+1,6+1,7+1,10+1
InChIKey
LLEMOWNGBBNAJR-QBTRQFLCSA-N
Canonic Smiles
Oc1ccccc1[13c]1[13cH][13cH][13cH][13cH][13cH]1
Isomeric Smiles
c1ccc(c(c1)[13c]1[13cH][13cH][13cH][13cH][13cH]1)O
Calculated Properties
JChem
Acid pKa
9.694701
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3168783
LogD (pH = 7.4)
3.3147213
Log P
3.316906
Molar Refractivity
53.1751
Polarizability
22.017588
Polar Surface Area
20.23
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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