Molecule

ID:65635

General Information
Structure
Molecular Formula
C₁₇H₁₉F₂N₃O₂
Molecular Mass
335.3484664
Exact Mass
335.1445333
Charge
0
InChI
InChI=1S/C17H19F2N3O2/c1-17(2,3)24-16(23)22(10-14-12(18)6-4-8-20-14)11-15-13(19)7-5-9-21-15/h4-9H,10-11H2,1-3H3
InChIKey
NCLCGLXSDYMZJL-UHFFFAOYSA-N
Canonic Smiles
O=C(N(Cc1ncccc1F)Cc1ncccc1F)OC(C)(C)C
Isomeric Smiles
c1cnc(c(c1)F)CN(Cc1ncccc1F)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5521183
LogD (pH = 7.4)
2.5522618
Log P
2.5522637
Molar Refractivity
83.9883
Polarizability
32.32892
Polar Surface Area
55.32
Rotatable Bonds
6
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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