Molecule

ID:11912

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₂N₂O
Molecular Mass
236.2174064
Exact Mass
236.07611939
Charge
0
InChI
InChI=1S/C12H10F2N2O/c1-16(2)7-8(6-15)12(17)10-4-3-9(13)5-11(10)14/h3-5,7H,1-2H3/b8-7-
InChIKey
LBVXYAHPDWCZGR-FPLPWBNLSA-N
Canonic Smiles
N#C/C(=C/N(C)C)/C(=O)c1ccc(cc1F)F
Isomeric Smiles
C(#N)/C(=C/N(C)C)/C(=O)c1c(cc(cc1)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9723625
LogD (pH = 7.4)
1.9724822
Log P
1.9724838
Molar Refractivity
60.2994
Polarizability
21.600523
Polar Surface Area
44.1
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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