Molecule

ID:20428

General Information
Structure
Molecular Formula
C₁₂H₁₆FNO₂
Molecular Mass
225.2593432
Exact Mass
225.11650698
Charge
0
InChI
InChI=1S/C12H16FNO2/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8,14H2
InChIKey
RNQWPNNARUETMX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)OCC1CCCCO1
Isomeric Smiles
c1(cc(N)ccc1OCC1OCCCC1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9770497
LogD (pH = 7.4)
1.9923102
Log P
1.9925082
Molar Refractivity
60.2937
Polarizability
22.844671
Polar Surface Area
44.48
Rotatable Bonds
3
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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