Molecule

ID:13587

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c1-7-2-3-8(11-7)6-9-4-5-10/h2-3,9-10H,4-6H2,1H3
InChIKey
HIZNEGARRMKWNB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNCCO
Isomeric Smiles
c1cc(oc1CNCCO)C
Calculated Properties
JChem
Acid pKa
15.601518
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.292215
LogD (pH = 7.4)
-0.56199664
Log P
0.1013006
Molar Refractivity
43.1389
Polarizability
16.630106
Polar Surface Area
45.4
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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