Molecule

ID:51581

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁FN₂O₂
Molecular Mass
198.1942432
Exact Mass
198.08045582
Charge
0
InChI
InChI=1S/C9H11FN2O2/c1-14-8(13)3-2-6-4-7(10)5-12-9(6)11/h4-5H,2-3H2,1H3,(H2,11,12)
InChIKey
YKQARTJZEXCQLQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCc1cc(F)cnc1N
Isomeric Smiles
c1(cnc(c(c1)CCC(=O)OC)N)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8829521
LogD (pH = 7.4)
0.8919025
Log P
0.8920179
Molar Refractivity
49.8091
Polarizability
18.462463
Polar Surface Area
65.21
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
References
Bioactivity
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