Molecule

ID:74538

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂
Molecular Mass
156.18392
Exact Mass
156.06874827
Charge
0
InChI
InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChIKey
DMCPFOBLJMLSNX-UHFFFAOYSA-N
Canonic Smiles
N#CCc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1c2c(cccc2)c(c1)CC#N
Calculated Properties
JChem
LogD (pH = 7.4)
1.77
LogD (pH = 5.5)
1.77
Log P
1.77
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
13.74
Polar Surface Area
39.58
Polarizability
16.74
Molar Refractivity
47.43
LOG S
-2.44
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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