Molecule

ID:30485

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClFNO
Molecular Mass
241.6891232
Exact Mass
241.06696994
Charge
0
InChI
InChI=1S/C12H12FNO.ClH/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12;/h1-7,14H,8-9H2;1H
InChIKey
RBZUNYKAVSNCSR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNCc1ccco1.Cl
Isomeric Smiles
c1(occc1)CNCc1ccc(F)cc1.Cl
Calculated Properties
JChem
Rotatable Bonds
4
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.3057101
LogD (pH = 7.4)
1.9915632
Log P
2.4590163
Molar Refractivity
56.5259
Polarizability
21.642197
Polar Surface Area
25.17
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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