Molecule
ID:66809
General Information
Molecular Formula
C₆H₁₀N₄
Molecular Mass
138.1704
Exact Mass
138.09054634
Charge
0
InChI
InChI=1S/C6H10N4/c1-10(2)6-5(7)8-3-4-9-6/h3-4H,1-2H3,(H2,7,8)
InChIKey
WBWGIOMHENHMFZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1nccnc1N)C
Isomeric Smiles
c1(c(nccn1)N(C)C)N
Calculated Properties
JChem
Acid pKa
19.87647
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.005129464
LogD (pH = 7.4)
0.005923789
Log P
0.0059339264
Molar Refractivity
41.5002
Polarizability
14.50653
Polar Surface Area
55.04
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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