Molecule
ID:84877
General Information
Molecular Formula
C₉H₁₄O₃
Molecular Mass
170.20566
Exact Mass
170.09429431
Charge
0
InChI
InChI=1S/C9H14O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7H,2-6H2,1H3
InChIKey
YLRVJPQVDQQBOX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCC(=O)C1
Isomeric Smiles
O=C(C1CC(=O)CCC1)OCC
Calculated Properties
JChem
Acid pKa
17.673075
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2136408
LogD (pH = 7.4)
1.2136408
Log P
1.2136408
Molar Refractivity
44.005
Polarizability
17.447
Polar Surface Area
43.37
Rotatable Bonds
3
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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