Molecule

ID:124256

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c13-9-5-1-3-7-8-4-2-6-10(15)12(8)14-11(7)9/h1,3,5,14H,2,4,6H2
InChIKey
WBXRAOUSCYEKQO-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCc2c1[nH]c1c2cccc1Cl
Isomeric Smiles
c12[nH]c3c(c1CCCC2=O)cccc3Cl
Calculated Properties
JChem
Acid pKa
11.276958
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9039319
LogD (pH = 7.4)
2.9038818
Log P
2.9039326
Molar Refractivity
60.0955
Polarizability
24.108366
Polar Surface Area
32.86
Rotatable Bonds
0
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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