Molecule

ID:12010

General Information
Structure
MolImage
Molecular Formula
C₃H₅ClFNO
Molecular Mass
125.5293032
Exact Mass
125.00436969
Charge
0
InChI
InChI=1S/C3H5ClFNO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)
InChIKey
MGPTVVOTWUGZJQ-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C(Cl)F
Isomeric Smiles
C(=O)(C(F)Cl)NC
Calculated Properties
JChem
Acid pKa
9.657493
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.041462112
LogD (pH = 7.4)
0.039368704
Log P
0.041488882
Molar Refractivity
24.4199
Polarizability
9.31527
Polar Surface Area
29.1
Rotatable Bonds
1
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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