Molecule

ID:107717

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO
Molecular Mass
157.25326
Exact Mass
157.14666423
Charge
0
InChI
InChI=1S/C9H19NO/c1-3-9(11)10-7-5-4-6-8(10)2/h8-9,11H,3-7H2,1-2H3
InChIKey
IUXHAOOISRNOAO-UHFFFAOYSA-N
Canonic Smiles
CCC(N1CCCCC1C)O
Isomeric Smiles
CCC(O)N1CCCCC1C
Calculated Properties
JChem
Acid pKa
13.601445
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5095843
LogD (pH = 7.4)
0.02830255
Log P
1.7435156
Molar Refractivity
46.9618
Polarizability
18.725828
Polar Surface Area
23.47
Rotatable Bonds
2
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
References
Bioactivity
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