Molecule

ID:124126

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c1-7-3-9(4-10(11)8(7)2)14-5-12-13-6-14/h3-6H,11H2,1-2H3
InChIKey
ZMIGDTJPRCIKNM-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1C)N)n1cnnc1
Isomeric Smiles
n1(c2cc(c(c(c2)C)C)N)cnnc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.054182436
LogD (pH = 7.4)
0.09209469
Log P
0.0926
Molar Refractivity
69.0054
Polarizability
21.200287
Polar Surface Area
56.73
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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