Molecule

ID:70825

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClFNO
Molecular Mass
171.5562232
Exact Mass
170.98871962
Charge
0
InChI
InChI=1S/C7H3ClFNO/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChIKey
SABSNTHFVVOJMX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)oc(n2)Cl
Isomeric Smiles
o1c(nc2c1cc(cc2)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3765817
LogD (pH = 7.4)
2.3765817
Log P
2.3765817
Molar Refractivity
37.9654
Polarizability
15.5652
Polar Surface Area
26.03
Rotatable Bonds
0
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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