Molecule

ID:89789

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O
Molecular Mass
134.1751
Exact Mass
134.07316494
Charge
0
InChI
InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2
InChIKey
PEHSSTUGJUBZBI-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)CCC2
Isomeric Smiles
Oc1cc2c(cc1)CCC2
Calculated Properties
JChem
LogD (pH = 7.4)
2.68
LogD (pH = 5.5)
2.68
Log P
2.68
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.39
Polar Surface Area
20.23
Polarizability
15.09
Molar Refractivity
40.92
LOG S
-2.37
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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