Molecule

ID:100711

General Information
Structure
Molecular Formula
C₁₄H₁₂ClFO
Molecular Mass
250.6958832
Exact Mass
250.0560709
Charge
0
InChI
InChI=1S/C14H12ClFO/c1-9-3-2-4-10(5-9)14(17)11-6-12(15)8-13(16)7-11/h2-8,14,17H,1H3
InChIKey
MDEYQGVHZOZVJU-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(c1cc(F)cc(c1)Cl)O
Isomeric Smiles
OC(c1cc(cc(c1)F)Cl)c1cccc(c1)C
Calculated Properties
JChem
Acid pKa
13.573327
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.250304
LogD (pH = 7.4)
4.2503037
Log P
4.250304
Molar Refractivity
67.2191
Polarizability
25.663252
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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