Molecule

ID:68554

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂
Molecular Mass
170.2105
Exact Mass
170.08439833
Charge
0
InChI
InChI=1S/C11H10N2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H,12H2
InChIKey
GKVYVZSNXXTOMQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1ccncc1
Isomeric Smiles
Nc1ccc(cc1)c1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3732988
LogD (pH = 7.4)
1.57052
Log P
1.5738728
Molar Refractivity
53.7377
Polarizability
21.618593
Polar Surface Area
38.91
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
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Molecule Details
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References
Bioactivity
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