Molecule

ID:78112

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂
Molecular Mass
170.2105
Exact Mass
170.08439833
Charge
0
InChI
InChI=1S/C11H10N2/c1-9-7-11(8-12-13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
RHDKJUGNFHWPKN-UHFFFAOYSA-N
Canonic Smiles
Cc1nncc(c1)c1ccccc1
Isomeric Smiles
n1nc(cc(c1)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5496497
LogD (pH = 7.4)
1.5543388
Log P
1.554399
Molar Refractivity
53.4921
Polarizability
21.346783
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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