Molecule

ID:18376

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-3,5,7H,4,6,11H2,1H3
InChIKey
HRICJDUBSORGIY-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)CC(O2)C
Isomeric Smiles
O1c2c(CC1C)cc(cc2)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5924984
LogD (pH = 7.4)
-0.6730455
Log P
1.3978065
Molar Refractivity
48.723
Polarizability
19.09357
Polar Surface Area
35.25
Rotatable Bonds
1
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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