Molecule

ID:84463

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₆
Molecular Mass
182.22626
Exact Mass
182.12799448
Charge
0
InChI
InChI=1S/C7H14N6/c1-7(2,3)4-10-5(8)12-6(11-4)13-9/h9H2,1-3H3,(H3,8,10,11,12,13)
InChIKey
VWXZEKSVHRDVED-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(N)nc(n1)C(C)(C)C
Isomeric Smiles
n1c(nc(nc1C(C)(C)C)N)NN
Calculated Properties
JChem
Acid pKa
14.9779825
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-0.07447509
LogD (pH = 7.4)
1.2690823
Log P
1.8964392
Molar Refractivity
55.1475
Polarizability
18.667934
Polar Surface Area
102.74
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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