Molecule

ID:24369

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h10,12H,2-9H2,1H3
InChIKey
OWGDWHGNVVNSRP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNC1CCCCC1
Isomeric Smiles
C(=O)(CCNC1CCCCC1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.396046
LogD (pH = 7.4)
-0.71071076
Log P
1.8240901
Molar Refractivity
56.0093
Polarizability
22.55125
Polar Surface Area
38.33
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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