Molecule

ID:21112

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFNO
Molecular Mass
231.6943032
Exact Mass
231.08262001
Charge
0
InChI
InChI=1S/C11H14FNO.ClH/c1-8-6-9(12)2-3-11(8)14-10-4-5-13-7-10;/h2-3,6,10,13H,4-5,7H2,1H3;1H
InChIKey
HBZCUJSOMQVVND-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C)OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)F)C)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1753839
LogD (pH = 7.4)
-0.7005627
Log P
2.0554962
Molar Refractivity
53.0698
Polarizability
20.590677
Polar Surface Area
21.26
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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