Molecule

ID:38356

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₂NO
Molecular Mass
145.1068064
Exact Mass
145.03392023
Charge
0
InChI
InChI=1S/C6H5F2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey
MEYHCABYUQUSKK-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(cc1F)F
Isomeric Smiles
c1(c(cc(cn1)F)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4777635
LogD (pH = 7.4)
1.4777635
Log P
1.4777635
Molar Refractivity
31.1106
Polarizability
11.516438
Polar Surface Area
22.12
Rotatable Bonds
1
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
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References
Bioactivity
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