Molecule

ID:58142

General Information
Structure
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c10-6-5-9-3-1-8(7-11)2-4-9/h8,10-11H,1-7H2
InChIKey
YBMMANNRSGHVEZ-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCC(CC1)CO
Isomeric Smiles
C1CN(CCC1CO)CCO
Calculated Properties
JChem
Acid pKa
15.224632
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.8652503
LogD (pH = 7.4)
-2.2254949
Log P
-0.72127223
Molar Refractivity
44.8227
Polarizability
17.506392
Polar Surface Area
43.7
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
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Molecule Details
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References
Bioactivity
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