Molecule

ID:47561

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClF₃NO₃
Molecular Mass
325.7113096
Exact Mass
325.06925569
Charge
0
InChI
InChI=1S/C13H14F3NO3.ClH/c1-19-12(18)11-6-10(7-17-11)20-9-4-2-8(3-5-9)13(14,15)16;/h2-5,10-11,17H,6-7H2,1H3;1H/t10-,11-;/m0./s1
InChIKey
MHMGFLNRYDKLQQ-ACMTZBLWSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)C(F)(F)F.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0448872
LogD (pH = 7.4)
2.0578606
Log P
2.1130552
Molar Refractivity
64.3849
Polarizability
24.837679
Polar Surface Area
47.56
Rotatable Bonds
5
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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