Molecule

ID:94252

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆FNO
Molecular Mass
209.2599432
Exact Mass
209.12159236
Charge
0
InChI
InChI=1S/C12H16FNO/c1-15-12-8-14-7-6-11(12)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
InChIKey
OJYYVIVMIWTFGH-UHFFFAOYSA-N
Canonic Smiles
COC1CNCCC1c1ccc(cc1)F
Isomeric Smiles
N1CCC(c2ccc(cc2)F)C(C1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2785332
LogD (pH = 7.4)
-0.06305674
Log P
1.8671893
Molar Refractivity
57.7311
Polarizability
22.440151
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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