Molecule

ID:53849

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₂
Molecular Mass
209.245
Exact Mass
209.11642674
Charge
0
InChI
InChI=1S/C8H11N3.C2H4O2/c9-8(10)11-6-7-4-2-1-3-5-7;1-2(3)4/h1-5H,6H2,(H4,9,10,11);1H3,(H,3,4)
InChIKey
VRRLMHJRNFXPRI-UHFFFAOYSA-N
Canonic Smiles
NC(=NCc1ccccc1)N.CC(=O)O
Isomeric Smiles
N(=C(N)N)Cc1ccccc1.CC(=O)O
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7041048
LogD (pH = 7.4)
-1.7006779
Log P
0.71131015
Molar Refractivity
44.9532
Polarizability
17.006617
Polar Surface Area
64.4
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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