Molecule

ID:29829

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂
Molecular Mass
182.2212
Exact Mass
182.08439833
Charge
0
InChI
InChI=1S/C12H10N2/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-14-12/h1-10H/b7-6+
InChIKey
IQRWJYZHFFPIKP-VOTSOKGWSA-N
Canonic Smiles
c1ccc(cc1)/C=C/c1ccncn1
Isomeric Smiles
c1nc(ccn1)/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6230476
LogD (pH = 7.4)
2.6232352
Log P
2.6232376
Molar Refractivity
57.73
Polarizability
21.763744
Polar Surface Area
25.78
Rotatable Bonds
2
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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