Molecule

ID:24752

General Information
Structure
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,10H,5-6H2
InChIKey
ITMGMSZDAOAVNO-UHFFFAOYSA-N
Canonic Smiles
OCC1Cc2c(O1)cccc2
Isomeric Smiles
O1c2c(CC1CO)cccc2
Calculated Properties
JChem
Acid pKa
14.6473675
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2251282
LogD (pH = 7.4)
1.225128
Log P
1.2251282
Molar Refractivity
41.7933
Polarizability
16.338596
Polar Surface Area
29.46
Rotatable Bonds
1
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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