Molecule

ID:51066

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7,9H,1-2H2
InChIKey
SCDJKGVPVLZLED-UHFFFAOYSA-N
Canonic Smiles
O=C1OC2C3C1CC(C2O)C3
Isomeric Smiles
C1C2C3C(C(C1C3)O)OC2=O
Calculated Properties
JChem
Acid pKa
13.919658
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.08534342
LogD (pH = 7.4)
-0.085343555
Log P
-0.08534342
Molar Refractivity
35.9247
Polarizability
14.73824
Polar Surface Area
46.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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