Molecule

ID:122958

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂O₂
Molecular Mass
250.68094
Exact Mass
250.05090528
Charge
0
InChI
InChI=1S/C12H11ClN2O2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3,(H2,14,15)
InChIKey
DBWIDLPBVAAQBM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1N)cccc2Cl
Isomeric Smiles
c1(c(c2c(nc1)c(Cl)ccc2)N)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7685497
LogD (pH = 7.4)
2.914051
Log P
2.916304
Molar Refractivity
66.2584
Polarizability
26.230873
Polar Surface Area
65.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
Molecular Spectra
Molecule Details
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References
Bioactivity
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