Molecule

ID:20111

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
InChIKey
IMPPGHMHELILKG-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)N
Isomeric Smiles
c1(N)ccc(cc1)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
1.34
LogD (pH = 5.5)
1.19
Log P
1.34
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
5.13
Polar Surface Area
35.25
Polarizability
15.40
Molar Refractivity
41.97
LOG S
-1.56
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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