Molecule

ID:37502

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-2-8(7-9)3-5-10-6-4-8/h2-7,9H2,1H3
InChIKey
KLRKBAFQXKDRQU-UHFFFAOYSA-N
Canonic Smiles
CCC1(CN)CCOCC1
Isomeric Smiles
C1COCCC1(CC)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3959684
LogD (pH = 7.4)
-1.7708967
Log P
0.6188975
Molar Refractivity
42.2114
Polarizability
16.955612
Polar Surface Area
35.25
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
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Molecule Details
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References
Bioactivity
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