Molecule

ID:22318

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey
QHRSESMSOJZMCO-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]nc(c1)c1ccccc1
Isomeric Smiles
n1c(cc([nH]1)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.25835
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9746884
LogD (pH = 7.4)
1.9760095
Log P
1.9760264
Molar Refractivity
49.3506
Polarizability
19.920677
Polar Surface Area
28.68
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
References
Bioactivity
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