Molecule

ID:119524

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄O₂
Molecular Mass
260.37126
Exact Mass
260.17763001
Charge
0
InChI
InChI=1S/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-15(18)16(7-11)19-4/h5-7,10,12-14,18H,8-9H2,1-4H3
InChIKey
NUEKYQUPPRJHFP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1O)C1CC2CC1C(C2(C)C)C
Isomeric Smiles
C12C(CC(C(C1C)(C)C)C2)c1cc(c(cc1)O)OC
Calculated Properties
JChem
Acid pKa
10.222815
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.166819
LogD (pH = 7.4)
4.1661787
Log P
4.166827
Molar Refractivity
76.96
Polarizability
30.336533
Polar Surface Area
29.46
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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