Molecule

ID:2265

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O
Molecular Mass
134.1751
Exact Mass
134.07316494
Charge
0
InChI
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
InChIKey
QIRNGVVZBINFMX-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccccc1O
Isomeric Smiles
Oc1ccccc1CC=C
Calculated Properties
JChem
LogD (pH = 7.4)
2.76
LogD (pH = 5.5)
2.77
Log P
2.77
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.33
Polar Surface Area
20.23
Polarizability
14.83
Molar Refractivity
42.33
LOG S
-1.97
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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