Molecule

ID:88449

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N
Molecular Mass
157.21174
Exact Mass
157.08914936
Charge
0
InChI
InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2
InChIKey
NVSYANRBXPURRQ-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc2c1cccc2
Isomeric Smiles
NCc1c2c(ccc1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9139852
LogD (pH = 7.4)
-0.11365392
Log P
2.088491
Molar Refractivity
50.9816
Polarizability
21.400492
Polar Surface Area
26.02
Rotatable Bonds
1
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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