Molecule

ID:129319

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₂FNO₃
Molecular Mass
355.4026832
Exact Mass
355.15837179
Charge
0
InChI
InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2
InChIKey
HAHQKXHPHSTOFJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1CC2CCC(C1COc1ccc3c(c1)OCO3)N2
Isomeric Smiles
c1cc2OCOc2cc1OCC1C(c2ccc(F)cc2)CC2NC1CC2
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.43559977
LogD (pH = 7.4)
0.6726666
Log P
3.6735804
Molar Refractivity
94.9051
Polarizability
37.446606
Polar Surface Area
39.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation