Molecule

ID:57416

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO
Molecular Mass
197.31712
Exact Mass
197.17796436
Charge
0
InChI
InChI=1S/C12H23NO/c14-12-8-4-1-3-7-11(12)13-9-5-2-6-10-13/h11-12,14H,1-10H2/t11-,12-/m1/s1
InChIKey
MBQOZOVWEOSXAT-VXGBXAGGSA-N
Canonic Smiles
O[C@@H]1CCCCC[C@H]1N1CCCCC1
Isomeric Smiles
N1([C@H]2[C@H](O)CCCCC2)CCCCC1
Calculated Properties
JChem
Acid pKa
14.597208
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2742866
LogD (pH = 7.4)
-0.65960956
Log P
2.2094712
Molar Refractivity
59.1068
Polarizability
23.525063
Polar Surface Area
23.47
Rotatable Bonds
1
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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