Molecule

ID:1462

General Information
Structure
MolImage
Molecular Formula
C₇H₈O
Molecular Mass
108.13782
Exact Mass
108.05751488
Charge
0
InChI
InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey
IWDCLRJOBJJRNH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)O
Isomeric Smiles
Cc1ccc(O)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.18
LogD (pH = 5.5)
2.18
Log P
2.18
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.36
Polar Surface Area
20.23
Polarizability
11.93
Molar Refractivity
33.08
LOG S
-1.44
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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