Molecule

ID:45338

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₄O
Molecular Mass
166.1805
Exact Mass
166.08546096
Charge
0
InChI
InChI=1S/C7H10N4O/c8-9-7(12)6-3-5(10-11-6)4-1-2-4/h3-4H,1-2,8H2,(H,9,12)(H,10,11)
InChIKey
SAPZJBNBSMCKAR-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc([nH]n1)C1CC1
Isomeric Smiles
c1(n[nH]c(c1)C1CC1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.014772
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.3382221
LogD (pH = 7.4)
-0.3400598
Log P
-0.33723807
Molar Refractivity
45.1761
Polarizability
16.17402
Polar Surface Area
83.8
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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