Molecule

ID:59209

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₅
Molecular Mass
211.6515
Exact Mass
211.06247303
Charge
0
InChI
InChI=1S/C8H10ClN5/c1-10-7-5-4-11-14(2)8(5)13-6(3-9)12-7/h4H,3H2,1-2H3,(H,10,12,13)
InChIKey
BOSRHAZBAVIABA-UHFFFAOYSA-N
Canonic Smiles
CNc1nc(CCl)nc2c1cnn2C
Isomeric Smiles
n1c(nc(c2c1n(nc2)C)NC)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0584741
LogD (pH = 7.4)
1.1061722
Log P
1.1068158
Molar Refractivity
67.7909
Polarizability
20.63732
Polar Surface Area
55.63
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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