Molecule

ID:70162

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClFNO₃
Molecular Mass
365.8263432
Exact Mass
365.11939944
Charge
0
InChI
InChI=1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1
InChIKey
GELRVIPPMNMYGS-RVXRQPKJSA-N
Canonic Smiles
Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
N1C[C@H]([C@@H](CC1)c1ccc(cc1)F)COc1ccc2OCOc2c1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.055298023
LogD (pH = 7.4)
0.82675153
Log P
3.1482487
Molar Refractivity
88.0237
Polarizability
34.4942
Polar Surface Area
39.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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