Molecule

ID:14916

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FNO
Molecular Mass
195.2333632
Exact Mass
195.10594229
Charge
0
InChI
InChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
InChIKey
QXWRXWPNHLIZBV-UHFFFAOYSA-N
Canonic Smiles
OC1(CCNCC1)c1ccc(cc1)F
Isomeric Smiles
C1(c2ccc(cc2)F)(CCNCC1)O
Calculated Properties
JChem
Acid pKa
13.969317
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2399547
LogD (pH = 7.4)
-1.065522
Log P
0.9161249
Molar Refractivity
53.1363
Polarizability
20.603489
Polar Surface Area
32.26
Rotatable Bonds
1
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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