Molecule

ID:94648

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄FNO₄
Molecular Mass
303.2850632
Exact Mass
303.09068615
Charge
0
InChI
InChI=1S/C16H14FNO4/c17-13-9-5-4-8-12(13)14(15(19)20)18-16(21)22-10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,21)(H,19,20)
InChIKey
XCCSKLSUZZWAKG-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(c1ccccc1F)C(=O)O)OCc1ccccc1
Isomeric Smiles
O=C(C(c1c(cccc1)F)NC(=O)OCc1ccccc1)O
Calculated Properties
JChem
Acid pKa
3.566141
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1662617
LogD (pH = 7.4)
-0.26029256
Log P
3.0942667
Molar Refractivity
76.2577
Polarizability
29.421911
Polar Surface Area
75.63
Rotatable Bonds
6
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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