Molecule

ID:96190

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁F₂NO
Molecular Mass
271.2614464
Exact Mass
271.08087042
Charge
0
InChI
InChI=1S/C16H11F2NO/c17-13-5-11(6-14(18)7-13)8-19-9-12(10-20)15-3-1-2-4-16(15)19/h1-7,9-10H,8H2
InChIKey
DCGPWKQMOHZUIE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)Cc1cc(F)cc(c1)F
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)Cc1cc(cc(c1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.018063
LogD (pH = 7.4)
4.018063
Log P
4.018063
Molar Refractivity
73.6706
Polarizability
28.087936
Polar Surface Area
22.0
Rotatable Bonds
3
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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