Molecule

ID:129950

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O
Molecular Mass
286.4516
Exact Mass
286.22966558
Charge
0
InChI
InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
InChIKey
ZRVDANDJSTYELM-FXAWDEMLSA-N
Canonic Smiles
CC(c1c(O)ccc2c1CC[C@@H]1[C@]2(C)CCCC1(C)C)C
Isomeric Smiles
CC(C)c1c(ccc2c1CC[C@@H]1[C@@]2(CCCC1(C)C)C)O
Calculated Properties
JChem
Acid pKa
10.767815
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.2535043
LogD (pH = 7.4)
6.2533216
Log P
6.2535067
Molar Refractivity
89.7077
Polarizability
35.061684
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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