Molecule

ID:55022

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClF₅NO
Molecular Mass
263.592296
Exact Mass
263.01363263
Charge
0
InChI
InChI=1S/C8H6F5NO.ClH/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11;/h1-2,14H2;1H
InChIKey
VGXYWOVCCGIPEM-UHFFFAOYSA-N
Canonic Smiles
NCCOc1c(F)c(F)c(c(c1F)F)F.Cl
Isomeric Smiles
c1(c(c(c(c(c1F)OCCN)F)F)F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2294756
LogD (pH = 7.4)
-0.12372686
Log P
1.7321004
Molar Refractivity
41.553
Polarizability
15.328393
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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