Molecule

ID:30405

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FNO
Molecular Mass
193.2174832
Exact Mass
193.09029223
Charge
0
InChI
InChI=1S/C11H12FNO/c12-10-7-9(8-14)3-4-11(10)13-5-1-2-6-13/h3-4,7-8H,1-2,5-6H2
InChIKey
DAPLSJXIJFYSAC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)F)N1CCCC1
Isomeric Smiles
c1(N2CCCC2)c(cc(C=O)cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3422906
LogD (pH = 7.4)
2.3422914
Log P
2.3422914
Molar Refractivity
54.828
Polarizability
19.670494
Polar Surface Area
20.31
Rotatable Bonds
2
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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