Molecule

ID:19181

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c1-2-8-4-3-5-9-6-10(7-15)12(13)14-11(8)9/h3-7H,2H2,1H3
InChIKey
OCNAMDQJNZGZIH-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc2c1nc(Cl)c(c2)C=O
Isomeric Smiles
n1c(c(cc2c1c(ccc2)CC)C=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6256142
LogD (pH = 7.4)
3.6256146
Log P
3.6256146
Molar Refractivity
62.0716
Polarizability
24.386997
Polar Surface Area
29.96
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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