Molecule

ID:50992

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₂
Molecular Mass
210.61708
Exact Mass
210.01960515
Charge
0
InChI
InChI=1S/C9H7ClN2O2/c1-2-14-9(13)8-7(10)3-6(4-11)5-12-8/h3,5H,2H2,1H3
InChIKey
UJGWCVFJCXXNFZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncc(cc1Cl)C#N
Isomeric Smiles
c1(ncc(C#N)cc1Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7618495
LogD (pH = 7.4)
1.7618495
Log P
1.7618495
Molar Refractivity
50.8294
Polarizability
19.525602
Polar Surface Area
62.98
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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