Molecule

ID:20304

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClF₃NO
Molecular Mass
315.7180296
Exact Mass
315.06377638
Charge
0
InChI
InChI=1S/C15H13ClF3NO/c1-8-5-11(6-9(2)14(8)16)21-10-3-4-13(20)12(7-10)15(17,18)19/h3-7H,20H2,1-2H3
InChIKey
VPSWKTZBJOWLRO-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Oc2ccc(c(c2)C(F)(F)F)N)cc(c1Cl)C
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1cc(c(c(c1)C)Cl)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.1530457
LogD (pH = 7.4)
5.1533394
Log P
5.153343
Molar Refractivity
77.8601
Polarizability
28.279856
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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