Molecule

ID:34832

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3
InChIKey
JDEYBJHOTWGYFE-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)N)O
Isomeric Smiles
c1(ccc(N)cc1)C(O)C
Calculated Properties
JChem
Acid pKa
14.922462
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.76309186
LogD (pH = 7.4)
0.793148
Log P
0.7935451
Molar Refractivity
41.9931
Polarizability
15.766248
Polar Surface Area
46.25
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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