Molecule
ID:41694
General Information
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c1-3-4-5-7-6(2)11-9-8(7)10/h3-5H2,1-2H3,(H,9,10)
InChIKey
KNFWICANIRTVAF-UHFFFAOYSA-N
Canonic Smiles
CCCCc1c(C)onc1O
Isomeric Smiles
c1(c(noc1C)O)CCCC
Calculated Properties
JChem
Acid pKa
6.185332
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.596845
LogD (pH = 7.4)
1.6233608
Log P
2.6753721
Molar Refractivity
43.7883
Polarizability
15.991394
Polar Surface Area
46.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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