Molecule

ID:77221

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₂
Molecular Mass
166.21696
Exact Mass
166.09937969
Charge
0
InChI
InChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12)
InChIKey
RXUUYFUQAGICCD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C12C[C@H]3C[C@H]2C[C@@H](C1)C3
Isomeric Smiles
[C@H]12C[C@H]3CC1(C[C@@H](C2)C3)C(=O)O
Calculated Properties
JChem
Acid pKa
4.5454574
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.93609154
LogD (pH = 7.4)
-0.8366595
Log P
1.9352076
Molar Refractivity
43.7873
Polarizability
17.487417
Polar Surface Area
37.3
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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