Molecule

ID:69161

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-2-9-5-3-8(7-10)4-6-9/h8,10H,2-7H2,1H3
InChIKey
FLOQYJOORROJQU-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(CC1)CC
Isomeric Smiles
C(O)C1CCN(CC1)CC
Calculated Properties
JChem
Acid pKa
15.46719
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0278013
LogD (pH = 7.4)
-1.6582782
Log P
0.32563776
Molar Refractivity
43.279
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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