Molecule

ID:90484

General Information
Structure
Molecular Formula
C₈H₈ClNO₂
Molecular Mass
185.60762
Exact Mass
185.02435618
Charge
0
InChI
InChI=1S/C8H8ClNO2/c1-5-3-4-6(9)10-7(5)8(11)12-2/h3-4H,1-2H3
InChIKey
XWPSWOKQWBNRDW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(nc1C(=O)OC)Cl
Isomeric Smiles
n1c(c(ccc1Cl)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.282544
LogD (pH = 7.4)
2.282544
Log P
2.282544
Molar Refractivity
46.4617
Polarizability
17.612747
Polar Surface Area
39.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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