Molecule

ID:65951

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃
Molecular Mass
207.6595
Exact Mass
207.05632502
Charge
0
InChI
InChI=1S/C10H10ClN3/c11-6-10-8-14(13-12-10)7-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey
VDEJEUQPCJMKBP-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnn(c1)Cc1ccccc1
Isomeric Smiles
n1nc(cn1Cc1ccccc1)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4134154
LogD (pH = 7.4)
2.413417
Log P
2.413417
Molar Refractivity
67.2757
Polarizability
21.277817
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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