Molecule

ID:118856

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FNO₂
Molecular Mass
223.2434632
Exact Mass
223.10085691
Charge
0
InChI
InChI=1S/C12H14FNO2/c13-9-1-2-11(15)10(7-9)12(16)8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6H2
InChIKey
ZULBLCPLJYOXEV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(F)ccc1O)C1CCNCC1
Isomeric Smiles
c1(C(=O)C2CCNCC2)c(ccc(c1)F)O
Calculated Properties
JChem
Acid pKa
9.638637
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0957462
LogD (pH = 7.4)
-0.3997498
Log P
1.4592823
Molar Refractivity
59.0897
Polarizability
22.51723
Polar Surface Area
49.33
Rotatable Bonds
2
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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