Molecule

ID:42514

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c1-10-8(11-2)7-9-5-3-4-6-9/h3-6,8H,7H2,1-2H3
InChIKey
JOPYGFRXGDLMOW-UHFFFAOYSA-N
Canonic Smiles
COC(Cn1cccc1)OC
Isomeric Smiles
n1(cccc1)CC(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.508733
LogD (pH = 7.4)
1.508733
Log P
1.508733
Molar Refractivity
42.5381
Polarizability
16.708742
Polar Surface Area
23.39
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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