Molecule

ID:21018

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFNO
Molecular Mass
231.6943032
Exact Mass
231.08262001
Charge
0
InChI
InChI=1S/C11H14FNO.ClH/c12-10-3-1-2-9(6-10)8-14-11-4-5-13-7-11;/h1-3,6,11,13H,4-5,7-8H2;1H
InChIKey
GGJHLDBVPBBMCZ-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COC1CNCC1.Cl
Isomeric Smiles
C1C(CNC1)OCc1cccc(c1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6586348
LogD (pH = 7.4)
-1.2772956
Log P
1.5755229
Molar Refractivity
53.1325
Polarizability
20.675646
Polar Surface Area
21.26
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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