Molecule

ID:101293

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃
Molecular Mass
207.6595
Exact Mass
207.05632502
Charge
0
InChI
InChI=1S/C10H10ClN3/c11-5-9-3-1-2-4-10(9)6-14-8-12-7-13-14/h1-4,7-8H,5-6H2
InChIKey
GQAZPVBEJWITCM-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccccc1Cn1cncn1
Isomeric Smiles
n1cnn(c1)Cc1c(CCl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.026079
LogD (pH = 7.4)
2.0262985
Log P
2.0263014
Molar Refractivity
68.615
Polarizability
21.270952
Polar Surface Area
30.71
Rotatable Bonds
3
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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