Molecule

ID:17919

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃
Molecular Mass
207.6595
Exact Mass
207.05632502
Charge
0
InChI
InChI=1S/C10H10ClN3/c1-7-5-10(12)14(13-7)9-4-2-3-8(11)6-9/h2-6H,12H2,1H3
InChIKey
YQXLXMSDCGPOLM-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)n1nc(cc1N)C
Isomeric Smiles
c1(n2c(cc(n2)C)N)cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0430562
LogD (pH = 7.4)
2.0546937
Log P
2.0548441
Molar Refractivity
57.7697
Polarizability
22.162561
Polar Surface Area
43.84
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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