Molecule

ID:131663

General Information
Structure
Molecular Formula
C₆H₁₀N₄O₂
Molecular Mass
170.1692
Exact Mass
170.08037558
Charge
0
InChI
InChI=1S/C6H10N4O2/c7-10-5(6(11)12)1-4-2-8-3-9-4/h2-3,5,10H,1,7H2,(H,8,9)(H,11,12)/t5-/m0/s1
InChIKey
OTXNLKCKMZUQKX-YFKPBYRVSA-N
Canonic Smiles
NN[C@H](C(=O)O)Cc1cnc[nH]1
Isomeric Smiles
c1c([nH]cn1)C[C@@H](C(=O)O)NN
Calculated Properties
JChem
Acid pKa
3.719948
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.67835
LogD (pH = 7.4)
-3.089198
Log P
-2.5441124
Molar Refractivity
53.0359
Polarizability
16.116007
Polar Surface Area
104.03
Rotatable Bonds
4
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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