Molecule

ID:122791

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO
Molecular Mass
205.64032
Exact Mass
205.02944156
Charge
0
InChI
InChI=1S/C11H8ClNO/c12-9-3-1-4-10(7-9)13-6-2-5-11(13)8-14/h1-8H
InChIKey
UOEPODIXYXIDCC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1cccc(c1)Cl
Isomeric Smiles
n1(c2cc(Cl)ccc2)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1713126
LogD (pH = 7.4)
3.1713126
Log P
3.1713126
Molar Refractivity
67.0767
Polarizability
22.066458
Polar Surface Area
22.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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