Molecule

ID:101871

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₇FN₂O₃
Molecular Mass
376.3803832
Exact Mass
376.12232063
Charge
0
InChI
InChI=1S/C22H17FN2O3/c23-16-9-7-14(8-10-16)13-25-20(15-4-3-11-24-12-15)19(22(27)28)17-5-1-2-6-18(17)21(25)26/h1-12,19-20H,13H2,(H,27,28)
InChIKey
XSBGREUPZKIBNU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CN1C(=O)c2ccccc2C(C1c1cccnc1)C(=O)O
Isomeric Smiles
N1(C(=O)c2c(C(C1c1cnccc1)C(=O)O)cccc2)Cc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
3.8005738
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5829992
LogD (pH = 7.4)
-0.014983897
Log P
2.2246654
Molar Refractivity
101.2802
Polarizability
38.266087
Polar Surface Area
70.5
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
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Molecule Details
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References
Bioactivity
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