Molecule

ID:20656

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈FNO
Molecular Mass
223.2865232
Exact Mass
223.13724242
Charge
0
InChI
InChI=1S/C13H18FNO/c14-13-5-1-3-11(7-13)9-16-10-12-4-2-6-15-8-12/h1,3,5,7,12,15H,2,4,6,8-10H2
InChIKey
JAUVDOWETJOQNC-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COCC1CCCNC1
Isomeric Smiles
N1CC(COCc2cc(F)ccc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0915917
LogD (pH = 7.4)
-0.57664365
Log P
2.1376402
Molar Refractivity
62.7171
Polarizability
24.353107
Polar Surface Area
21.26
Rotatable Bonds
4
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
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References
Bioactivity
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