Molecule

ID:4952

General Information
Structure
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Molecular Formula
C₁₂H₉N
Molecular Mass
167.20656
Exact Mass
167.07349929
Charge
0
InChI
InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
InChIKey
UJOBWOGCFQCDNV-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)[nH]c1c2cccc1
Isomeric Smiles
c12ccccc1c1ccccc1[nH]2
Calculated Properties
JChem
LogD (pH = 7.4)
3.09
LogD (pH = 5.5)
3.09
Log P
3.09
Rotatable Bonds
0
H Donor
1
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
14.97
Polar Surface Area
15.79
Polarizability
18.82
Molar Refractivity
53.47
LOG S
-4.00
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
No Data Available
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Molecule Details
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References
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Bioactivity
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