Molecule
ID:44653
General Information
Molecular Formula
C₁₁H₉ClN₂O₂
Molecular Mass
236.65436
Exact Mass
236.03525522
Charge
0
InChI
InChI=1S/C11H9ClN2O2/c1-2-16-11(15)10-13-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
InChIKey
ZMAJSODACDWUAS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc(Cl)c2c(n1)cccc2
Isomeric Smiles
n1c(nc2c(c1Cl)cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9919322
LogD (pH = 7.4)
2.9919324
Log P
2.9919324
Molar Refractivity
61.1014
Polarizability
24.27881
Polar Surface Area
52.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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