Molecule

ID:21098

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₂NO
Molecular Mass
199.1972464
Exact Mass
199.08087042
Charge
0
InChI
InChI=1S/C10H11F2NO/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKey
MDBXTHZASNMNFX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)OC1CNCC1
Isomeric Smiles
c1(c(cc(cc1)F)F)OC1CCNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5437534
LogD (pH = 7.4)
-1.0128357
Log P
1.6847769
Molar Refractivity
48.245
Polarizability
18.571217
Polar Surface Area
21.26
Rotatable Bonds
2
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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