Molecule

ID:79340

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-14-9-6-5-8(4-3-7-13)10(12)11(9)15-2/h3-6H,1-2H3
InChIKey
GQKIWSMNRGSSSV-UHFFFAOYSA-N
Canonic Smiles
N#C/C=C/c1ccc(c(c1Cl)OC)OC
Isomeric Smiles
N#C/C=C/c1c(c(c(cc1)OC)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.649404
LogD (pH = 7.4)
2.649404
Log P
2.649404
Molar Refractivity
59.7704
Polarizability
22.474998
Polar Surface Area
42.25
Rotatable Bonds
3
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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