Molecule

ID:100646

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O₃
Molecular Mass
240.2309232
Exact Mass
240.09102051
Charge
0
InChI
InChI=1S/C11H13FN2O3/c12-9-3-1-8(2-4-9)11(17)14-7-10(16)13-5-6-15/h1-4,15H,5-7H2,(H,13,16)(H,14,17)
InChIKey
GWRSLYBGSXCIOB-UHFFFAOYSA-N
Canonic Smiles
OCCNC(=O)CNC(=O)c1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)C(=O)NCC(=O)NCCO
Calculated Properties
JChem
Acid pKa
14.025896
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.6051212
LogD (pH = 7.4)
-0.60512125
Log P
-0.60512114
Molar Refractivity
59.3453
Polarizability
22.157017
Polar Surface Area
78.43
Rotatable Bonds
5
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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