Molecule

ID:86996

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂NO₂
Molecular Mass
220.05268
Exact Mass
218.98538383
Charge
0
InChI
InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-7-3-5(9)2-6(10)4-7/h2-4H,1H3,(H,11,12)
InChIKey
FRSRGACXHCLBTC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Nc1cc(Cl)cc(c1)Cl
Isomeric Smiles
N(c1cc(cc(c1)Cl)Cl)C(=O)OC
Calculated Properties
JChem
Acid pKa
12.777207
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0383368
LogD (pH = 7.4)
3.0383348
Log P
3.0383368
Molar Refractivity
52.1542
Polarizability
19.761646
Polar Surface Area
38.33
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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