Molecule

ID:67130

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClN₃
Molecular Mass
167.59564
Exact Mass
167.02502489
Charge
0
InChI
InChI=1S/C7H6ClN3/c1-11-4-10-6-5(11)2-3-9-7(6)8/h2-4H,1H3
InChIKey
AFBRUNQKLYJRCA-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc2c1ccnc2Cl
Isomeric Smiles
c1(c2c(ccn1)n(cn2)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.088529
LogD (pH = 7.4)
1.0897144
Log P
1.0897295
Molar Refractivity
43.5744
Polarizability
17.471394
Polar Surface Area
30.71
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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