Molecule

ID:55306

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO
Molecular Mass
157.25326
Exact Mass
157.14666423
Charge
0
InChI
InChI=1S/C9H19NO/c1-8(2)10-5-3-9(7-11)4-6-10/h8-9,11H,3-7H2,1-2H3
InChIKey
FLKOJXQVRBGEES-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(CC1)C(C)C
Isomeric Smiles
N1(CCC(CC1)CO)C(C)C
Calculated Properties
JChem
Acid pKa
15.46719
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.676544
LogD (pH = 7.4)
-1.5146031
Log P
0.7422128
Molar Refractivity
47.6978
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
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Molecule Details
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References
Bioactivity
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