Molecule

ID:37509

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClF₂NO
Molecular Mass
249.6847664
Exact Mass
249.07319819
Charge
0
InChI
InChI=1S/C11H13F2NO.ClH/c12-8-1-2-11(13)9(3-8)10-5-14-4-7(10)6-15;/h1-3,7,10,14-15H,4-6H2;1H/t7-,10+;/m0./s1
InChIKey
STPLOYFTJQWYIW-XQRIHRDZSA-N
Canonic Smiles
OC[C@@H]1CNC[C@H]1c1cc(F)ccc1F.Cl
Isomeric Smiles
C1[C@H]([C@@H](CN1)CO)c1c(ccc(c1)F)F.Cl
Calculated Properties
JChem
Acid pKa
15.409567
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2627933
LogD (pH = 7.4)
-1.7599009
Log P
0.9669506
Molar Refractivity
53.5353
Polarizability
20.267706
Polar Surface Area
32.26
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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