Molecule

ID:35192

General Information
Structure
Molecular Formula
C₁₀H₁₀ClN₃
Molecular Mass
207.6595
Exact Mass
207.05632502
Charge
0
InChI
InChI=1S/C10H10ClN3/c1-7-6-10(12)14(13-7)9-5-3-2-4-8(9)11/h2-6H,12H2,1H3
InChIKey
NEKHWUVVKRUUIT-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)c1ccccc1Cl
Isomeric Smiles
n1(c(cc(n1)C)N)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0434332
LogD (pH = 7.4)
2.0546987
Log P
2.0548441
Molar Refractivity
57.7697
Polarizability
22.175915
Polar Surface Area
43.84
Rotatable Bonds
1
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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