Molecule
ID:73353
General Information
Molecular Formula
C₁₂H₁₀N₂
Molecular Mass
182.2212
Exact Mass
182.08439833
Charge
0
InChI
InChI=1S/C12H10N2/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,13H2
InChIKey
CGTWOOPTAAXMLM-UHFFFAOYSA-N
Canonic Smiles
Nn1c2ccccc2c2c1cccc2
Isomeric Smiles
n1(c2c(cccc2)c2c1cccc2)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1251602
LogD (pH = 7.4)
2.1252851
Log P
2.1252866
Molar Refractivity
59.367
Polarizability
24.388268
Polar Surface Area
30.95
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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