Molecule

ID:24362

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₂
Molecular Mass
211.30064
Exact Mass
211.15722892
Charge
0
InChI
InChI=1S/C12H21NO2/c1-15-12(14)8-10-13-9-7-11-5-3-2-4-6-11/h5,13H,2-4,6-10H2,1H3
InChIKey
JIVRYFDPYHNYCT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNCCC1=CCCCC1
Isomeric Smiles
C(=O)(CCNCCC1=CCCCC1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4597942
LogD (pH = 7.4)
-0.5738227
Log P
1.7433304
Molar Refractivity
61.5195
Polarizability
24.151594
Polar Surface Area
38.33
Rotatable Bonds
7
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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