Molecule

ID:69580

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₃
Molecular Mass
215.28934
Exact Mass
215.15214354
Charge
0
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKey
PZTAGFCBNDBBFZ-SECBINFHSA-N
Canonic Smiles
OC[C@H]1CCCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1([C@H](CCCC1)CO)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.090304
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3103458
LogD (pH = 7.4)
1.3103458
Log P
1.3103458
Molar Refractivity
57.793
Polarizability
22.806097
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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