Molecule

ID:118855

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆FNO₃
Molecular Mass
265.2801432
Exact Mass
265.1114216
Charge
0
InChI
InChI=1S/C14H16FNO3/c1-9(17)16-6-4-10(5-7-16)14(19)12-8-11(15)2-3-13(12)18/h2-3,8,10,18H,4-7H2,1H3
InChIKey
BIOJZRDPHAAHAN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(F)ccc1O)C1CCN(CC1)C(=O)C
Isomeric Smiles
c1(C(=O)C2CCN(C(=O)C)CC2)c(ccc(c1)F)O
Calculated Properties
JChem
Acid pKa
8.839975
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.733353
LogD (pH = 7.4)
1.7181743
Log P
1.7335501
Molar Refractivity
68.6556
Polarizability
25.927654
Polar Surface Area
57.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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