Molecule

ID:16090

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO
Molecular Mass
205.64032
Exact Mass
205.02944156
Charge
0
InChI
InChI=1S/C11H8ClNO/c12-10-5-1-2-6-11(10)13-7-3-4-9(13)8-14/h1-8H
InChIKey
ZGGBSDXOHAFIOQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccccc1Cl
Isomeric Smiles
n1(c2c(Cl)cccc2)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5195
LogD (pH = 7.4)
2.5195
Log P
2.5195
Molar Refractivity
67.0767
Polarizability
22.076294
Polar Surface Area
22.0
Rotatable Bonds
2
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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