Molecule

ID:19955

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO
Molecular Mass
231.2654632
Exact Mass
231.10594229
Charge
0
InChI
InChI=1S/C14H14FNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2
InChIKey
UHMZZJXCMIHFMC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)OCCc1ccccc1
Isomeric Smiles
c1(cc(ccc1OCCc1ccccc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1396801
LogD (pH = 7.4)
3.1424494
Log P
3.142485
Molar Refractivity
66.8056
Polarizability
24.993853
Polar Surface Area
35.25
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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