Molecule

ID:57092

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c1-8-4-2-3-5-9(8)6-14-7-12-10(11)13-14/h2-5,7H,6H2,1H3,(H2,11,13)
InChIKey
OVXMGVHCYCVRGA-UHFFFAOYSA-N
Canonic Smiles
Nc1ncn(n1)Cc1ccccc1C
Isomeric Smiles
n1(cnc(n1)N)Cc1ccccc1C
Calculated Properties
JChem
Acid pKa
15.365398
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8021216
LogD (pH = 7.4)
1.802338
Log P
1.8023409
Molar Refractivity
68.4357
Polarizability
20.502487
Polar Surface Area
56.73
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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