Molecule
ID:51204
General Information
Molecular Formula
C₈H₁₇NO₃
Molecular Mass
175.22548
Exact Mass
175.12084341
Charge
0
InChI
InChI=1S/C8H17NO3/c1-2-12-8(11)9-6-4-3-5-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKey
WHZCHGMXZGTIPP-UHFFFAOYSA-N
Canonic Smiles
OCCCCCNC(=O)OCC
Isomeric Smiles
C(=O)(NCCCCCO)OCC
Calculated Properties
JChem
Acid pKa
15.979735
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5012759
LogD (pH = 7.4)
0.5012759
Log P
0.5012759
Molar Refractivity
46.1381
Polarizability
18.026667
Polar Surface Area
58.56
Rotatable Bonds
7
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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