Molecule

ID:20502

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
InChIKey
CDGNLUSBENXDGG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C)N
Isomeric Smiles
c1(c(ccc(c1)OC)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3818203
LogD (pH = 7.4)
1.4983593
Log P
1.50007
Molar Refractivity
42.2628
Polarizability
15.750857
Polar Surface Area
35.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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