Molecule

ID:67269

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N
Molecular Mass
133.19034
Exact Mass
133.08914936
Charge
0
InChI
InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2
InChIKey
YQDGQEKUTLYWJU-UHFFFAOYSA-N
Canonic Smiles
C1CCc2c(C1)nccc2
Isomeric Smiles
n1cccc2CCCCc12
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5032797
LogD (pH = 7.4)
2.0651076
Log P
2.0817435
Molar Refractivity
40.9595
Polarizability
15.927021
Polar Surface Area
12.89
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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