Molecule

ID:121220

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O
Molecular Mass
208.2321232
Exact Mass
208.10119127
Charge
0
InChI
InChI=1S/C11H13FN2O/c12-10-4-3-8(13)7-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2
InChIKey
DTIYMBPKWVGCIG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(N)ccc1F)N1CCCC1
Isomeric Smiles
c1(C(=O)N2CCCC2)c(ccc(c1)N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.98964274
LogD (pH = 7.4)
0.990797
Log P
0.9908117
Molar Refractivity
57.3876
Polarizability
20.636694
Polar Surface Area
46.33
Rotatable Bonds
1
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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