Molecule

ID:64679

General Information
Structure
Molecular Formula
C₁₀H₁₁ClF₃N
Molecular Mass
237.6492496
Exact Mass
237.0532117
Charge
0
InChI
InChI=1S/C10H10F3N.ClH/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9;/h1-2,5,14H,3-4,6H2;1H
InChIKey
KAYKKSBELWYSON-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c(c1)CNCC2)(F)F.Cl
Isomeric Smiles
C(c1cc2c(cc1)CCNC2)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6537659
LogD (pH = 7.4)
0.6908223
Log P
2.4493315
Molar Refractivity
48.5893
Polarizability
17.637741
Polar Surface Area
12.03
Rotatable Bonds
1
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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