Molecule

ID:50420

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-12-9-4-2-8(3-5-9)10-6-7-11-10/h2-5,10-11H,6-7H2,1H3
InChIKey
JGRQFXJWMOUDTP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1CCN1
Isomeric Smiles
N1C(c2ccc(cc2)OC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8907772
LogD (pH = 7.4)
-1.1075586
Log P
1.3221252
Molar Refractivity
48.3358
Polarizability
19.174406
Polar Surface Area
21.26
Rotatable Bonds
2
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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