Molecule

ID:74107

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₄
Molecular Mass
213.24313484
Exact Mass
213.10955124
Charge
0
InChI
InChI=1S/C12H12N4/c1-7-6-9-8(4-3-5-14-9)10-11(7)16(2)12(13)15-10/h3-6H,1-2H3,(H2,13,15)/i12+1
InChIKey
GMGWMIJIGUYNAY-HNHCFKFXSA-N
Canonic Smiles
Cc1cc2ncccc2c2c1n(C)[13c](n2)N
Isomeric Smiles
Cn1c2c(C)cc3ncccc3c2n[13c]1N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6145975
LogD (pH = 7.4)
1.3884474
Log P
2.0095801
Molar Refractivity
63.0014
Polarizability
25.998787
Polar Surface Area
56.73
Rotatable Bonds
0
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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