Molecule

ID:70906

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂
Molecular Mass
170.2105
Exact Mass
170.08439833
Charge
0
InChI
InChI=1S/C11H10N2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
InChIKey
CHVKPWIABFICLK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc(c1)c1ccccc1
Isomeric Smiles
c1(cc(ccn1)N)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5268721
LogD (pH = 7.4)
1.1151978
Log P
1.9597231
Molar Refractivity
53.3657
Polarizability
21.622677
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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