Molecule

ID:97141

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
InChIKey
LBVXYAHPDWCZGR-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C\N(C)C)/C(=O)c1ccc(cc1F)F
Isomeric Smiles
Fc1c(ccc(c1)F)C(=O)/C(=C/N(C)C)/C#N
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
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation