Molecule

ID:124240

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFN
Molecular Mass
195.6206832
Exact Mass
195.02510513
Charge
0
InChI
InChI=1S/C10H7ClFN/c1-6-5-8(11)7-3-2-4-9(12)10(7)13-6/h2-5H,1H3
InChIKey
PKLIYBDVJXLAHP-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)c2c(n1)c(F)ccc2
Isomeric Smiles
c12c(c(cc(n1)C)Cl)cccc2F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0089777
LogD (pH = 7.4)
3.0090168
Log P
3.0090172
Molar Refractivity
49.592
Polarizability
20.23144
Polar Surface Area
12.89
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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