Molecule

ID:91067

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O
Molecular Mass
182.2179
Exact Mass
182.07316494
Charge
0
InChI
InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
InChIKey
AFMVESZOYKHDBJ-UHFFFAOYSA-N
Canonic Smiles
OC1c2ccccc2-c2c1cccc2
Isomeric Smiles
OC1c2c(cccc2)c2c1cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
2.66
LogD (pH = 5.5)
2.66
Log P
2.66
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
13.90
Polar Surface Area
20.23
Polarizability
20.12
Molar Refractivity
56.23
LOG S
-3.63
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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