Molecule

ID:101147

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₂
Molecular Mass
232.3181
Exact Mass
232.14632988
Charge
0
InChI
InChI=1S/C15H20O2/c1-14(2)7-8-15(3,4)12-9-10(13(16)17)5-6-11(12)14/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKey
KSEZYZSBKCPEKP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric Smiles
c12c(C(CCC2(C)C)(C)C)ccc(c1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.202387
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9407885
LogD (pH = 7.4)
1.2253842
Log P
4.2572155
Molar Refractivity
68.8438
Polarizability
26.495337
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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