Molecule

ID:9200

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃NO
Molecular Mass
177.1238496
Exact Mass
177.04014848
Charge
0
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2
InChIKey
SADHVOSOZBAAGL-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)OC(F)(F)F
Isomeric Smiles
O(C(F)(F)F)c1cccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5733356
LogD (pH = 7.4)
2.575405
Log P
2.5754313
Molar Refractivity
33.8287
Polarizability
13.4587965
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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