Molecule

ID:130171

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₈FNO₃
Molecular Mass
373.4610232
Exact Mass
373.20532198
Charge
0
InChI
InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
InChIKey
HXTGXYRHXAGCFP-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OC)C(C1CCN(CC1)CCc1ccc(cc1)F)O
Isomeric Smiles
c1cc(F)ccc1CCN1CCC(CC1)C(O)c1c(OC)c(ccc1)OC
Calculated Properties
JChem
Acid pKa
13.946017
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.538078
LogD (pH = 7.4)
2.2298386
Log P
3.5935638
Molar Refractivity
105.3236
Polarizability
40.676834
Polar Surface Area
41.93
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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