Molecule

ID:74169

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₄O₂
Molecular Mass
172.18508
Exact Mass
172.09602564
Charge
0
InChI
InChI=1S/C6H12N4O2/c1-2-3(5(11)9-7)4(2)6(12)10-8/h2-4H,7-8H2,1H3,(H,9,11)(H,10,12)/t2?,3-,4+
InChIKey
PXPOBFBMSHYEPH-FFJXCCJNSA-N
Canonic Smiles
NNC(=O)[C@@H]1[C@@H](C1C)C(=O)NN
Isomeric Smiles
O=C([C@@H]1[C@@H](C1C)C(=O)NN)NN
Calculated Properties
JChem
Acid pKa
12.391192
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-2.1431372
LogD (pH = 7.4)
-2.1406581
Log P
-2.1406224
Molar Refractivity
43.444
Polarizability
16.417505
Polar Surface Area
110.24
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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