Molecule

ID:64648

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂
Molecular Mass
222.62778
Exact Mass
222.01960515
Charge
0
InChI
InChI=1S/C10H7ClN2O2/c1-15-10(14)6-2-3-7-8(4-6)12-5-13-9(7)11/h2-5H,1H3
InChIKey
BYHDRGRVVXBJIP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)ncnc2Cl
Isomeric Smiles
n1cnc2c(c1Cl)ccc(c2)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2527604
LogD (pH = 7.4)
2.2527614
Log P
2.2527614
Molar Refractivity
56.6919
Polarizability
22.42787
Polar Surface Area
52.08
Rotatable Bonds
2
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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