Molecule

ID:51250

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₃
Molecular Mass
239.655
Exact Mass
239.03492087
Charge
0
InChI
InChI=1S/C11H10ClNO3/c1-6-3-7(11(14)15-2)10-8(4-6)13-9(5-12)16-10/h3-4H,5H2,1-2H3
InChIKey
ZULWCYYJSLEOKO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(C)cc2c1oc(n2)CCl
Isomeric Smiles
c1(c2c(nc(o2)CCl)cc(c1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.497172
LogD (pH = 7.4)
2.4971724
Log P
2.4971724
Molar Refractivity
58.9835
Polarizability
23.708565
Polar Surface Area
52.33
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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