Molecule

ID:63464

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₃
Molecular Mass
215.28934
Exact Mass
215.15214354
Charge
0
InChI
InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)12-7-5-6-11(4,14)8-12/h14H,5-8H2,1-4H3
InChIKey
IWWAIZZOPVWORI-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC(C1)(C)O)OC(C)(C)C
Isomeric Smiles
C(=O)(OC(C)(C)C)N1CCCC(C)(O)C1
Calculated Properties
JChem
Acid pKa
14.663898
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1463537
LogD (pH = 7.4)
1.1463537
Log P
1.1463537
Molar Refractivity
57.8302
Polarizability
22.806097
Polar Surface Area
49.77
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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