Molecule

ID:110968

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6,9-10H,4-5H2
InChIKey
KKOWMCYVIXBCGE-UHFFFAOYSA-N
Canonic Smiles
OCCOc1cccc(c1)O
Isomeric Smiles
OCCOc1cc(O)ccc1
Calculated Properties
JChem
Acid pKa
9.482664
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.8218623
LogD (pH = 7.4)
0.81835365
Log P
0.8219072
Molar Refractivity
40.7944
Polarizability
15.9241905
Polar Surface Area
49.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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