Molecule

ID:60067

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄O₂
Molecular Mass
142.11604
Exact Mass
142.04907545
Charge
0
InChI
InChI=1S/C4H6N4O2/c1-3(4(9)10)8-2-5-6-7-8/h2-3H,1H3,(H,9,10)/t3-/m0/s1
InChIKey
ZFQPVPQCMQGGHT-VKHMYHEASA-N
Canonic Smiles
OC(=O)[C@@H](n1cnnn1)C
Isomeric Smiles
n1(nnnc1)[C@H](C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.084896
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.9851973
LogD (pH = 7.4)
-4.0641503
Log P
-0.60054076
Molar Refractivity
44.1131
Polarizability
11.668138
Polar Surface Area
80.9
Rotatable Bonds
2
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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