Molecule

ID:58815

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₂
Molecular Mass
166.60758
Exact Mass
166.02977591
Charge
0
InChI
InChI=1S/C8H7ClN2/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3
InChIKey
UXZYKSFMGDWHGJ-UHFFFAOYSA-N
Canonic Smiles
Cn1c(Cl)nc2c1cccc2
Isomeric Smiles
c1(nc2c(n1C)cccc2)Cl
Calculated Properties
JChem
LogD (pH = 5.5)
2.3952985
LogD (pH = 7.4)
2.3971705
Log P
2.3971944
Molar Refractivity
44.8911
Polarizability
18.358759
Polar Surface Area
17.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
0
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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