Molecule

ID:69071

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClF₃NO
Molecular Mass
253.6486496
Exact Mass
253.04812632
Charge
0
InChI
InChI=1S/C10H10F3NO.ClH/c11-10(12,13)7-2-1-3-8(4-7)15-9-5-14-6-9;/h1-4,9,14H,5-6H2;1H
InChIKey
BSIMCVKSEKIRPP-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)OC1CNC1)(F)F.Cl
Isomeric Smiles
N1CC(C1)Oc1cc(ccc1)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.62648547
LogD (pH = 7.4)
1.027385
Log P
2.2172618
Molar Refractivity
48.9205
Polarizability
18.469885
Polar Surface Area
21.26
Rotatable Bonds
3
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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