Molecule

ID:124686

General Information
Structure
Molecular Formula
C₇H₁₅NO₃
Molecular Mass
161.1989
Exact Mass
161.10519335
Charge
0
InChI
InChI=1S/C7H15NO3/c9-6-7(10)5-8-1-3-11-4-2-8/h7,9-10H,1-6H2
InChIKey
VZBNUEHCOOXOHR-UHFFFAOYSA-N
Canonic Smiles
OCC(CN1CCOCC1)O
Isomeric Smiles
N1(CC(O)CO)CCOCC1
Calculated Properties
JChem
Acid pKa
13.997373
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.759734
LogD (pH = 7.4)
-1.4674124
Log P
-1.348768
Molar Refractivity
41.3174
Polarizability
16.397003
Polar Surface Area
52.93
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
References
Bioactivity
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