Molecule

ID:34282

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3
InChIKey
OVMRRCXDBKEQIU-UHFFFAOYSA-N
Canonic Smiles
OCCC1CCCCN1C
Isomeric Smiles
N1(CCCCC1CCO)C
Calculated Properties
JChem
Acid pKa
15.924143
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9453044
LogD (pH = 7.4)
-1.7691264
Log P
0.4701604
Molar Refractivity
42.958
Polarizability
16.88203
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
No Data Available
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Molecule Details
References
Bioactivity
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