Molecule

ID:17534

General Information
Structure
Molecular Formula
C₇H₁₃NO₃
Molecular Mass
159.18302
Exact Mass
159.08954328
Charge
0
InChI
InChI=1S/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)
InChIKey
YUYHRSGXZZVNMS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCOCC1
Isomeric Smiles
C(=O)(CCN1CCOCC1)O
Calculated Properties
JChem
Acid pKa
3.5837343
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9740157
LogD (pH = 7.4)
-3.1201656
Log P
-2.9762132
Molar Refractivity
39.8466
Polarizability
15.687127
Polar Surface Area
49.77
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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