Molecule

ID:21605

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₂
Molecular Mass
209.245
Exact Mass
209.11642674
Charge
0
InChI
InChI=1S/C10H15N3O2/c1-2-15-9-5-3-8(4-6-9)12-7-10(14)13-11/h3-6,12H,2,7,11H2,1H3,(H,13,14)
InChIKey
SBGTZGYSJPRABB-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NCC(=O)NN
Isomeric Smiles
C(=O)(NN)CNc1ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
12.396478
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.01728808
LogD (pH = 7.4)
0.019690916
Log P
0.019725634
Molar Refractivity
59.8545
Polarizability
22.153482
Polar Surface Area
76.38
Rotatable Bonds
5
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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