Molecule

ID:14788

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClFNO
Molecular Mass
233.7101832
Exact Mass
233.09827007
Charge
0
InChI
InChI=1S/C11H16FNO.ClH/c1-9(8-14-2)13-7-10-4-3-5-11(12)6-10;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKey
YXDUCGXRMLVPJF-UHFFFAOYSA-N
Canonic Smiles
COCC(NCc1cccc(c1)F)C.Cl
Isomeric Smiles
c1cc(cc(c1)CNC(COC)C)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9764327
LogD (pH = 7.4)
0.5209545
Log P
2.0438962
Molar Refractivity
54.9847
Polarizability
21.401114
Polar Surface Area
21.26
Rotatable Bonds
5
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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