Molecule

ID:51644

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FN₂O₂
Molecular Mass
222.2156432
Exact Mass
222.08045582
Charge
0
InChI
InChI=1S/C11H11FN2O2/c1-15-11(16-2)9-4-3-7-5-8(12)6-13-10(7)14-9/h3-6,11H,1-2H3
InChIKey
DAVIBRODJFTHQN-UHFFFAOYSA-N
Canonic Smiles
COC(c1ccc2c(n1)ncc(c2)F)OC
Isomeric Smiles
c1(cnc2c(c1)ccc(n2)C(OC)OC)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.69257
LogD (pH = 7.4)
1.69257
Log P
1.69257
Molar Refractivity
56.6061
Polarizability
21.968004
Polar Surface Area
44.24
Rotatable Bonds
3
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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