Molecule

ID:17481

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇FN₂O
Molecular Mass
224.2745832
Exact Mass
224.13249139
Charge
0
InChI
InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
InChIKey
CHWYCUIRUZAFQG-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)F)N1CCOCC1
Isomeric Smiles
C(c1ccc(cc1)F)(N1CCOCC1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8114697
LogD (pH = 7.4)
-0.4467295
Log P
1.1016273
Molar Refractivity
61.5116
Polarizability
24.043478
Polar Surface Area
38.49
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
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References
Bioactivity
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