Molecule

ID:84834

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂O₂
Molecular Mass
250.68094
Exact Mass
250.05090528
Charge
0
InChI
InChI=1S/C12H11ClN2O2/c1-17-10-7-14-15(12(16)11(10)13)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey
KVZQNLPOHROISY-UHFFFAOYSA-N
Canonic Smiles
COc1cnn(c(=O)c1Cl)Cc1ccccc1
Isomeric Smiles
n1(Cc2ccccc2)c(=O)c(c(OC)cn1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9219651
LogD (pH = 7.4)
1.9219651
Log P
1.9219651
Molar Refractivity
66.9801
Polarizability
24.908115
Polar Surface Area
41.9
Rotatable Bonds
3
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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