Molecule

ID:69581

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N
Molecular Mass
143.18516
Exact Mass
143.07349929
Charge
0
InChI
InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
InChIKey
SMUQFGGVLNAIOZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)cccc2
Isomeric Smiles
n1c(ccc2ccccc12)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.26
LogD (pH = 5.5)
2.11
Log P
2.26
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
5.15
Polar Surface Area
12.89
Polarizability
16.21
Molar Refractivity
44.57
LOG S
-2.15
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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