Molecule

ID:64314

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO₃
Molecular Mass
174.58168
Exact Mass
174.00837176
Charge
0
InChI
InChI=1S/C7H7ClO3/c1-3(2)11-7-4(8)5(9)6(7)10/h3H,1-2H3
InChIKey
FOAYRKHCUAPSBU-UHFFFAOYSA-N
Canonic Smiles
CC(OC1=C(Cl)C(=O)C1=O)C
Isomeric Smiles
C1(=C(C(=O)C1=O)Cl)OC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5577816
LogD (pH = 7.4)
1.5577816
Log P
1.5577816
Molar Refractivity
41.5377
Polarizability
15.473738
Polar Surface Area
43.37
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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