Molecule

ID:78254

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKey
IJXJGQCXFSSHNL-UHFFFAOYSA-N
Canonic Smiles
OCC(c1ccccc1)N
Isomeric Smiles
OCC(c1ccccc1)N
Calculated Properties
JChem
Acid pKa
15.034467
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4697678
LogD (pH = 7.4)
-1.2631787
Log P
0.4686793
Molar Refractivity
40.4939
Polarizability
16.162655
Polar Surface Area
46.25
Rotatable Bonds
2
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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