Molecule

ID:43096

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClFNO₂
Molecular Mass
219.6405432
Exact Mass
219.0462345
Charge
0
InChI
InChI=1S/C9H10FNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H
InChIKey
CYBPGAJVYNZAMH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1cccc(c1)F)N.Cl
Isomeric Smiles
C(=O)(C(c1cc(F)ccc1)N)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.0036520849
LogD (pH = 7.4)
1.0204127
Log P
1.0775498
Molar Refractivity
45.3468
Polarizability
17.838984
Polar Surface Area
52.32
Rotatable Bonds
3
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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