Molecule

ID:45121

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClF₃N₃
Molecular Mass
265.6626496
Exact Mass
265.05935971
Charge
0
InChI
InChI=1S/C10H11ClF3N3/c11-9-7(10(12,13)14)1-2-8(16-9)17-5-3-15-4-6-17/h1-2,15H,3-6H2
InChIKey
QZYYPQAYSFBKPW-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(nc1Cl)N1CCNCC1)(F)F
Isomeric Smiles
n1c(c(C(F)(F)F)ccc1N1CCNCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.33308774
LogD (pH = 7.4)
1.2373236
Log P
2.6242168
Molar Refractivity
61.2384
Polarizability
21.938437
Polar Surface Area
28.16
Rotatable Bonds
2
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
References
Bioactivity
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