Molecule

ID:60366

General Information
Structure
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-5-8-2-3-10(5)4-6(11)9-7/h2-3H,4,7H2,1H3,(H,9,11)
InChIKey
JATIQKICGGXJOH-UHFFFAOYSA-N
Canonic Smiles
Cc1nccn1CC(=O)NN
Isomeric Smiles
c1(n(ccn1)CC(=O)NN)C
Calculated Properties
JChem
Acid pKa
12.339116
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.4305027
LogD (pH = 7.4)
-1.6422598
Log P
-1.4239184
Molar Refractivity
40.7411
Polarizability
15.264676
Polar Surface Area
72.94
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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