Molecule

ID:21861

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c10-8-4-3-7-9-5-1-2-6-9/h10H,1-8H2
InChIKey
ONQHKOLMQDHHDN-UHFFFAOYSA-N
Canonic Smiles
OCCCCN1CCCC1
Isomeric Smiles
N1(CCCCO)CCCC1
Calculated Properties
JChem
Acid pKa
15.972566
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.958587
LogD (pH = 7.4)
-1.9162561
Log P
0.48318732
Molar Refractivity
43.3314
Polarizability
16.88203
Polar Surface Area
23.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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