Molecule

ID:101051

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKey
HDVAWXXJVMJBAR-VHSXEESVSA-N
Canonic Smiles
OC[C@@H]1CCCN2[C@@H]1CCCC2
Isomeric Smiles
N12[C@@H]([C@H](CO)CCC1)CCCC2
Calculated Properties
JChem
LogD (pH = 7.4)
-1.65
LogD (pH = 5.5)
-2.54
Log P
0.92
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.03
Polar Surface Area
23.47
Polarizability
20.16
Molar Refractivity
50.24
LOG S
-0.45
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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