Molecule

ID:17101

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-5,12H,1H3
InChIKey
BZODTNGMGUKGEV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)[nH]c2c1cc(Cl)cc2
Isomeric Smiles
c12c([nH]c(c1C=O)C)ccc(c2)Cl
Calculated Properties
JChem
Acid pKa
13.6724415
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5881162
LogD (pH = 7.4)
2.588116
Log P
2.5881162
Molar Refractivity
53.683
Polarizability
21.056067
Polar Surface Area
32.86
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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