Molecule

ID:59786

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₄
Molecular Mass
320.3155832
Exact Mass
320.11723525
Charge
0
InChI
InChI=1S/C16H17FN2O4/c17-11-1-2-12-13(9-11)23-18-16(12)10-5-7-19(8-6-10)14(20)3-4-15(21)22/h1-2,9-10H,3-8H2,(H,21,22)
InChIKey
MYOCZUKWKLGQJB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)N1CCC(CC1)c1noc2c1ccc(c2)F
Isomeric Smiles
n1c(c2c(o1)cc(cc2)F)C1CCN(C(=O)CCC(=O)O)CC1
Calculated Properties
JChem
Acid pKa
4.1917133
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.15741536
LogD (pH = 7.4)
-1.8699594
Log P
1.1691241
Molar Refractivity
79.5264
Polarizability
31.139904
Polar Surface Area
83.64
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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