Molecule

ID:21824

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3
InChIKey
YKUCHDXIBAQWSF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)O
Isomeric Smiles
C(=O)(c1cc(O)ccc1)OC
Calculated Properties
JChem
LogD (pH = 7.4)
1.67
LogD (pH = 5.5)
1.67
Log P
1.67
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.14
Polar Surface Area
46.53
Polarizability
14.80
Molar Refractivity
40.06
LOG S
-1.29
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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