Molecule
ID:119527
General Information
Molecular Formula
C₁₇H₂₄O₂
Molecular Mass
260.37126
Exact Mass
260.17763001
Charge
0
InChI
InChI=1S/C17H24O2/c1-15(2)12-9-10-16(3,11-12)17(15,18)13-7-5-6-8-14(13)19-4/h5-8,12,18H,9-11H2,1-4H3/t12-,16+,17-/m0/s1
InChIKey
SGISQVBZQSXLCD-VUCTXSBTSA-N
Canonic Smiles
COc1ccccc1[C@@]1(O)[C@]2(C)CC[C@@H](C1(C)C)C2
Isomeric Smiles
[C@]1([C@]2(C[C@H](C1(C)C)CC2)C)(c1c(OC)cccc1)O
Calculated Properties
JChem
Acid pKa
13.2514105
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6359358
LogD (pH = 7.4)
3.6359353
Log P
3.635936
Molar Refractivity
76.1257
Polarizability
30.42477
Polar Surface Area
29.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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