Molecule

ID:6256

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey
APJYDQYYACXCRM-UHFFFAOYSA-N
Canonic Smiles
NCCc1c[nH]c2c1cccc2
Isomeric Smiles
NCCc1c[nH]c2c1cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
-0.89
LogD (pH = 5.5)
-1.53
Log P
1.49
Rotatable Bonds
2
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.88
Polar Surface Area
41.81
Polarizability
18.33
Molar Refractivity
50.37
LOG S
-1.90
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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