Molecule

ID:19454

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClF₃N
Molecular Mass
265.7024096
Exact Mass
265.08451183
Charge
0
InChI
InChI=1S/C12H14F3N.ClH/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10;/h1-4,10,16H,5-8H2;1H
InChIKey
KURKYPUJETYTIT-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)C1CCNCC1)(F)F.Cl
Isomeric Smiles
c1(ccc(cc1)C(F)(F)F)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.26570058
LogD (pH = 7.4)
0.39233622
Log P
2.956159
Molar Refractivity
57.4527
Polarizability
21.270393
Polar Surface Area
12.03
Rotatable Bonds
2
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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