Molecule

ID:19950

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅FN₂O
Molecular Mass
198.2373032
Exact Mass
198.11684133
Charge
0
InChI
InChI=1S/C10H15FN2O/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKey
DHAZPTCVKPVGAZ-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1ccc(cc1N)F)C
Isomeric Smiles
c1(cc(ccc1OCCN(C)C)F)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9509362
LogD (pH = 7.4)
-0.27929655
Log P
1.1479951
Molar Refractivity
55.4571
Polarizability
20.703257
Polar Surface Area
38.49
Rotatable Bonds
4
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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