Molecule

ID:58108

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c1-6-7-3-2-4-8(11)10(7)12-9(6)5-13/h2-5,12H,1H3
InChIKey
FLYFADJEUDJOJU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1[nH]c2c(c1C)cccc2Cl
Isomeric Smiles
c1cc(c2[nH]c(c(c2c1)C)C=O)Cl
Calculated Properties
JChem
Acid pKa
12.831149
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8219774
LogD (pH = 7.4)
2.821976
Log P
2.8219774
Molar Refractivity
53.452
Polarizability
21.077517
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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