Molecule

ID:122354

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-2-8(10-5-1)6-9-7-3-4-7/h1-2,5,7,9H,3-4,6H2
InChIKey
QDPDMHNZROESOW-UHFFFAOYSA-N
Canonic Smiles
c1coc(c1)CNC1CC1
Isomeric Smiles
C1(CC1)NCc1occc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4780701
LogD (pH = 7.4)
0.25521258
Log P
1.0574058
Molar Refractivity
38.9081
Polarizability
15.350117
Polar Surface Area
25.17
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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