Molecule

ID:122056

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-6-4-8(6)9-3-2-7(5-10)11-9/h2-3,5-6,8H,4H2,1H3
InChIKey
VBFPNYFEWORKHF-UHFFFAOYSA-N
Canonic Smiles
CC1CC1c1ccc(o1)C=O
Isomeric Smiles
C1(c2oc(cc2)C=O)CC1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6563445
LogD (pH = 7.4)
1.6563445
Log P
1.6563445
Molar Refractivity
41.9246
Polarizability
15.662185
Polar Surface Area
30.21
Rotatable Bonds
2
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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