Molecule

ID:61663

General Information
Structure
Molecular Formula
C₁₁H₁₈F₃N₃O
Molecular Mass
265.2753296
Exact Mass
265.14019687
Charge
0
InChI
InChI=1S/C11H18F3N3O/c12-11(13,14)9-1-4-16(5-2-9)7-8-17-6-3-15-10(17)18/h9H,1-8H2,(H,15,18)
InChIKey
NQBIMHIJXJNAFK-UHFFFAOYSA-N
Canonic Smiles
FC(C1CCN(CC1)CCN1CCNC1=O)(F)F
Isomeric Smiles
C1(=O)N(CCN2CCC(C(F)(F)F)CC2)CCN1
Calculated Properties
JChem
Acid pKa
12.483216
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6928061
LogD (pH = 7.4)
0.034328066
Log P
0.56899345
Molar Refractivity
61.4313
Polarizability
22.821377
Polar Surface Area
35.58
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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