Molecule

ID:33366

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-8(7-10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3
InChIKey
DBVFKDFKCCLKPX-UHFFFAOYSA-N
Canonic Smiles
OCC(CN1CCCC1)C
Isomeric Smiles
N1(CC(CO)C)CCCC1
Calculated Properties
JChem
Acid pKa
15.440298
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0211697
LogD (pH = 7.4)
-2.1715837
Log P
0.44514823
Molar Refractivity
43.1032
Polarizability
16.88203
Polar Surface Area
23.47
Rotatable Bonds
3
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
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References
Bioactivity
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