Molecule

ID:39968

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O₂
Molecular Mass
170.1692
Exact Mass
170.08037558
Charge
0
InChI
InChI=1S/C6H10N4O2/c1-10-2-3(4(7)8)5(11)9-6(10)12/h3H,2H2,1H3,(H3,7,8)(H,9,11,12)
InChIKey
IXPNQXFRVYWDDI-UHFFFAOYSA-N
Canonic Smiles
CN1CC(C(=N)N)C(=O)NC1=O
Isomeric Smiles
N1C(=O)N(CC(C1=O)C(=N)N)C
Calculated Properties
JChem
Acid pKa
11.6518955
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.4067235
LogD (pH = 7.4)
-4.354913
Log P
-2.26714
Molar Refractivity
51.3502
Polarizability
15.47536
Polar Surface Area
99.28
Rotatable Bonds
1
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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