Molecule

ID:61847

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClINO₂
Molecular Mass
373.57353
Exact Mass
372.93665421
Charge
0
InChI
InChI=1S/C13H9ClINO2/c14-13-12(11(15)6-10(7-17)16-13)18-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
ANPGINPOPHSNSB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(I)c(c(n1)Cl)OCc1ccccc1
Isomeric Smiles
c1(c(nc(cc1I)C=O)Cl)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.462587
LogD (pH = 7.4)
4.462587
Log P
4.462587
Molar Refractivity
80.4043
Polarizability
30.612877
Polar Surface Area
39.19
Rotatable Bonds
4
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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