Molecule

ID:88967

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂
Molecular Mass
170.2105
Exact Mass
170.08439833
Charge
0
InChI
InChI=1S/C11H10N2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H,12H2
InChIKey
YTJQJGKMRLQBJP-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1cccnc1
Isomeric Smiles
n1cccc(c1)c1cccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4992037
LogD (pH = 7.4)
1.5728616
Log P
1.5738728
Molar Refractivity
53.7377
Polarizability
21.62539
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
No Data Available
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Molecule Details
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References
Bioactivity
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