Molecule

ID:89360

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₂
Molecular Mass
238.67024
Exact Mass
238.05090528
Charge
0
InChI
InChI=1S/C11H11ClN2O2/c1-3-16-11(15)10-7(2)13-9-5-4-8(12)6-14(9)10/h4-6H,3H2,1-2H3
InChIKey
CCUPMKHLKAODHI-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2n(c1C(=O)OCC)cc(cc2)Cl
Isomeric Smiles
n12c(c(nc1ccc(c2)Cl)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7530642
LogD (pH = 7.4)
1.7749634
Log P
1.7752503
Molar Refractivity
61.9841
Polarizability
23.251608
Polar Surface Area
43.6
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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