Molecule

ID:96444

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃F₄NO
Molecular Mass
275.2420328
Exact Mass
275.09332692
Charge
0
InChI
InChI=1S/C13H13F4NO/c1-3-18(4-2)6-7-5-8-9(14)10(15)11(16)12(17)13(8)19-7/h5H,3-4,6H2,1-2H3
InChIKey
IXCUDVYQSNSXGC-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1oc2c(c1)c(F)c(c(c2F)F)F)CC
Isomeric Smiles
o1c2c(c(c(c(c2F)F)F)F)cc1CN(CC)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.07651702
LogD (pH = 7.4)
1.2900412
Log P
3.2781909
Molar Refractivity
63.6821
Polarizability
24.273252
Polar Surface Area
16.38
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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