Molecule

ID:20209

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClF₄NO
Molecular Mass
307.6712128
Exact Mass
307.03870451
Charge
0
InChI
InChI=1S/C13H9F4NO.ClH/c14-8-2-1-3-10(6-8)19-12-5-4-9(18)7-11(12)13(15,16)17;/h1-7H,18H2;1H
InChIKey
IFDFIVRGZASLLV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1cccc(c1)F.Cl
Isomeric Smiles
c1(C(F)(F)F)c(Oc2cc(F)ccc2)ccc(c1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6624687
LogD (pH = 7.4)
3.6651235
Log P
3.6651576
Molar Refractivity
63.1893
Polarizability
22.660908
Polar Surface Area
35.25
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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