Molecule

ID:88876

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(14)12-11(8-13)6-4-5-7-11/h13H,4-8H2,1-3H3,(H,12,14)
InChIKey
KORMKULLVQEUDG-UHFFFAOYSA-N
Canonic Smiles
OCC1(CCCC1)NC(=O)OC(C)(C)C
Isomeric Smiles
OCC1(NC(=O)OC(C)(C)C)CCCC1
Calculated Properties
JChem
Acid pKa
14.185809
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4550071
LogD (pH = 7.4)
1.4550071
Log P
1.4550071
Molar Refractivity
57.3869
Polarizability
22.806097
Polar Surface Area
58.56
Rotatable Bonds
4
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
References
Bioactivity
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