Molecule

ID:123513

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c1-9-2-5-12(8-15)14(9)11-6-3-10(13)4-7-11/h2-8H,1H3
InChIKey
BIHSKTUQUCDYLY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(n1c1ccc(cc1)Cl)C
Isomeric Smiles
n1(c(ccc1C)C=O)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.534
LogD (pH = 7.4)
2.534
Log P
2.534
Molar Refractivity
72.2264
Polarizability
23.817749
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
No Data Available
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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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