Molecule

ID:18523

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2
InChIKey
DBIMLJDSPUCGGY-UHFFFAOYSA-N
Canonic Smiles
OCCCC1CCNCC1
Isomeric Smiles
N1CCC(CCCO)CC1
Calculated Properties
JChem
Acid pKa
16.785711
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.834623
LogD (pH = 7.4)
-2.3783064
Log P
0.39696547
Molar Refractivity
42.5147
Polarizability
16.88203
Polar Surface Area
32.26
Rotatable Bonds
3
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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