Molecule

ID:100712

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClFO
Molecular Mass
250.6958832
Exact Mass
250.0560709
Charge
0
InChI
InChI=1S/C14H12ClFO/c1-9-3-2-4-10(7-9)14(17)11-5-6-13(16)12(15)8-11/h2-8,14,17H,1H3
InChIKey
XKMYQLDNGMBQFK-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(c1ccc(c(c1)Cl)F)O
Isomeric Smiles
OC(c1cc(c(cc1)F)Cl)c1cccc(c1)C
Calculated Properties
JChem
Acid pKa
13.667868
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.250304
LogD (pH = 7.4)
4.250304
Log P
4.250304
Molar Refractivity
67.2191
Polarizability
25.68644
Polar Surface Area
20.23
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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