Molecule

ID:42175

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFNO
Molecular Mass
211.6200832
Exact Mass
211.02001975
Charge
0
InChI
InChI=1S/C10H7ClFNO/c11-7-5-8(12)9(6-10(7)14)13-3-1-2-4-13/h1-6,14H
InChIKey
DTSJUZKIJJZXCD-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(cc1n1cccc1)O
Isomeric Smiles
c1(n2cccc2)cc(c(cc1F)Cl)O
Calculated Properties
JChem
Acid pKa
7.7783113
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9326239
LogD (pH = 7.4)
2.7835472
Log P
2.9349
Molar Refractivity
62.8125
Polarizability
20.483027
Polar Surface Area
25.16
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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