Molecule

ID:65175

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClN₃
Molecular Mass
167.59564
Exact Mass
167.02502489
Charge
0
InChI
InChI=1S/C7H6ClN3/c1-5-4-9-7-3-2-6(8)10-11(5)7/h2-4H,1H3
InChIKey
BJAPDMDUQWVOIL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)c(C)cn2
Isomeric Smiles
c1c(nn2c(c1)ncc2C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6602588
LogD (pH = 7.4)
1.6765435
Log P
1.6767558
Molar Refractivity
54.7894
Polarizability
16.129194
Polar Surface Area
30.19
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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