Molecule

ID:33064

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-3-12(4-2)11(10(13)14)8-6-5-7-9-11/h3-9H2,1-2H3,(H,13,14)
InChIKey
XZSNLIWIHXBIHR-UHFFFAOYSA-N
Canonic Smiles
CCN(C1(CCCCC1)C(=O)O)CC
Isomeric Smiles
C1(C(=O)O)(N(CC)CC)CCCCC1
Calculated Properties
JChem
Acid pKa
2.073695
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.32173592
LogD (pH = 7.4)
-0.321656
Log P
-0.32162598
Molar Refractivity
56.6239
Polarizability
22.298407
Polar Surface Area
40.54
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
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References
Bioactivity
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