Molecule

ID:124372

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c1-7-3-8(2)10(4-9(7)11)14-5-12-13-6-14/h3-6H,11H2,1-2H3
InChIKey
DYXRZMXDKSXNRX-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(cc1n1cnnc1)N
Isomeric Smiles
n1(c2cc(c(cc2C)C)N)cnnc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.039184738
LogD (pH = 7.4)
0.09188513
Log P
0.0926
Molar Refractivity
69.0054
Polarizability
21.199413
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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