Molecule

ID:90846

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,11-12H,6H2,1H3
InChIKey
BIFJNBXQXNWYOL-UHFFFAOYSA-N
Canonic Smiles
CNCc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1c2c(cccc2)c(c1)CNC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.51
LogD (pH = 5.5)
-1.55
Log P
1.63
Rotatable Bonds
2
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.57
Polar Surface Area
27.82
Polarizability
18.43
Molar Refractivity
50.39
LOG S
-1.69
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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