Molecule

ID:34804

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N
Molecular Mass
133.19034
Exact Mass
133.08914936
Charge
0
InChI
InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
InChIKey
XJEVHMGJSYVQBQ-UHFFFAOYSA-N
Canonic Smiles
NC1CCc2c1cccc2
Isomeric Smiles
c12c(CCC1N)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3644532
LogD (pH = 7.4)
-0.62883526
Log P
1.6432385
Molar Refractivity
42.1122
Polarizability
16.613792
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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