Molecule

ID:79784

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c1-2-3-8(4-6-9)5-7-10/h2,9-10H,1,3-7H2
InChIKey
ZAYJKJNSENNBGW-UHFFFAOYSA-N
Canonic Smiles
OCCN(CC=C)CCO
Isomeric Smiles
N(CC=C)(CCO)CCO
Calculated Properties
JChem
Acid pKa
15.291451
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.220246
LogD (pH = 7.4)
-1.4519172
Log P
-0.45878473
Molar Refractivity
41.7354
Polarizability
16.147842
Polar Surface Area
43.7
Rotatable Bonds
6
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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