Molecule

ID:67938

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₂
Molecular Mass
166.60758
Exact Mass
166.02977591
Charge
0
InChI
InChI=1S/C8H7ClN2/c1-11-5-3-6-7(9)2-4-10-8(6)11/h2-5H,1H3
InChIKey
GYGRXUOVLHHEMC-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc2c1nccc2Cl
Isomeric Smiles
n1(ccc2c(ccnc12)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0478792
LogD (pH = 7.4)
2.0494976
Log P
2.049518
Molar Refractivity
44.6417
Polarizability
17.611372
Polar Surface Area
17.82
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
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Molecule Details
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References
Bioactivity
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