Molecule
ID:10652
General Information
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-4-5-6-7-10(8(2)11)9(3)12/h10H,4-7H2,1-3H3
InChIKey
RSYGAEISWXZUKM-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(C(=O)C)C(=O)C
Isomeric Smiles
CC(=O)C(C(=O)C)CCCCC
Calculated Properties
JChem
Acid pKa
8.888932
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6492188
LogD (pH = 7.4)
2.6356423
Log P
2.6493948
Molar Refractivity
49.0685
Polarizability
19.291458
Polar Surface Area
34.14
Rotatable Bonds
6
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
No Data Available
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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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