Molecule

ID:34830

General Information
Structure
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Molecular Formula
C₈H₁₁N
Molecular Mass
121.17964
Exact Mass
121.08914936
Charge
0
InChI
InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
InChIKey
GUAWMXYQZKVRCW-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1C
Isomeric Smiles
c1(c(C)cccc1)NC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9052699
LogD (pH = 7.4)
1.9587193
Log P
1.9594454
Molar Refractivity
41.293
Polarizability
15.109564
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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