Molecule

ID:96003

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈F₃N₅O
Molecular Mass
365.3529296
Exact Mass
365.14634488
Charge
0
InChI
InChI=1S/C17H18F3N5O/c18-17(19,20)15(26)14(12-24-10-6-1-2-7-11-24)16-21-22-23-25(16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKey
WREDDYBFGIVHTA-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)/C(=C\N1CCCCCC1)/c1nnnn1c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(nnn1)/C(=C/N1CCCCCC1)/C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.9498587
LogD (pH = 7.4)
3.960787
Log P
3.9609282
Molar Refractivity
93.1644
Polarizability
33.65916
Polar Surface Area
63.91
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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