Molecule

ID:54087

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-10(2)11-9-6-4-3-5-8(9)7-12-10/h3-6,11H,7H2,1-2H3
InChIKey
MAEQOIDZBKIVHI-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OCc2c(N1)cccc2
Isomeric Smiles
c1ccc2c(c1)NC(OC2)(C)C
Calculated Properties
JChem
Acid pKa
12.943278
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7379723
LogD (pH = 7.4)
1.7379711
Log P
1.7379723
Molar Refractivity
50.5235
Polarizability
18.793547
Polar Surface Area
21.26
Rotatable Bonds
0
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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