Molecule

ID:35322

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey
XTXZCNATVCIKTR-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]cc1c1ccccc1
Isomeric Smiles
c1(c(n[nH]c1)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.392968
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0552406
LogD (pH = 7.4)
2.0560155
Log P
2.0560253
Molar Refractivity
49.4731
Polarizability
19.930096
Polar Surface Area
28.68
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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