Molecule

ID:61580

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₃O₂
Molecular Mass
215.6369
Exact Mass
215.04615426
Charge
0
InChI
InChI=1S/C8H10ClN3O2/c1-2-14-8(13)5-4-11-7(9)3-6(5)12-10/h3-4H,2,10H2,1H3,(H,11,12)
InChIKey
IJTSWKZASWNNMA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(cc1NN)Cl
Isomeric Smiles
c1(c(cc(nc1)Cl)NN)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9209107
LogD (pH = 7.4)
1.9809017
Log P
1.9817227
Molar Refractivity
56.2478
Polarizability
20.280111
Polar Surface Area
77.24
Rotatable Bonds
4
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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