Molecule
ID:119588
General Information
Molecular Formula
C₂₀H₂₆O₂
Molecular Mass
298.41924
Exact Mass
298.19328007
Charge
0
InChI
InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16?,17?,18?,19-,20-/m0/s1
InChIKey
ICTXHFFSOAJUMG-OQPPHWFISA-N
Canonic Smiles
C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C1CCC(=O)C2
Isomeric Smiles
C12=C(CC(=O)CC2)CCC2C3[C@@]([C@](C#C)(CC3)O)(CCC12)C
Calculated Properties
JChem
Acid pKa
16.301239
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.813825
LogD (pH = 7.4)
2.813825
Log P
2.813825
Molar Refractivity
87.1812
Polarizability
34.003754
Polar Surface Area
37.3
Rotatable Bonds
0
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
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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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