Molecule

ID:18030

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₄
Molecular Mass
126.1597
Exact Mass
126.09054634
Charge
0
InChI
InChI=1S/C5H10N4/c1-2-3-9-4-7-5(6)8-9/h4H,2-3H2,1H3,(H2,6,8)
InChIKey
RWJOWQPWDQMLRB-UHFFFAOYSA-N
Canonic Smiles
CCCn1cnc(n1)N
Isomeric Smiles
n1c(nn(c1)CCC)N
Calculated Properties
JChem
Acid pKa
15.381577
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.44353524
LogD (pH = 7.4)
0.4437736
Log P
0.44377664
Molar Refractivity
48.0545
Polarizability
12.854228
Polar Surface Area
56.73
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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