Molecule

ID:34336

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-2-9-7-8-3-5-10-6-4-8/h8-9H,2-7H2,1H3
InChIKey
SPIBNYIRDDCSOO-UHFFFAOYSA-N
Canonic Smiles
CCNCC1CCOCC1
Isomeric Smiles
C1COCCC1CNCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6519952
LogD (pH = 7.4)
-2.4030018
Log P
0.5857163
Molar Refractivity
42.7355
Polarizability
16.955612
Polar Surface Area
21.26
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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