Molecule

ID:70081

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂
Molecular Mass
209.62902
Exact Mass
209.02435618
Charge
0
InChI
InChI=1S/C10H8ClNO2/c1-14-10-4-6-7(11)2-3-12-8(6)5-9(10)13/h2-5,13H,1H3
InChIKey
NKWZPFHSWLSOON-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(Cl)ccnc2cc1O
Isomeric Smiles
n1ccc(c2cc(c(cc12)O)OC)Cl
Calculated Properties
JChem
Acid pKa
8.154935
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2577581
LogD (pH = 7.4)
2.2034116
Log P
2.2737086
Molar Refractivity
53.2282
Polarizability
21.931334
Polar Surface Area
42.35
Rotatable Bonds
1
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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