Molecule

ID:40699

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c1-18-14(17)12-4-2-11(3-5-12)13-8-10(9-15)6-7-16-13/h2-8H,1H3
InChIKey
FQMWWWCTWQEUFU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1nccc(c1)C#N
Isomeric Smiles
c1cnc(cc1C#N)c1ccc(cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6482205
LogD (pH = 7.4)
2.6482222
Log P
2.6482222
Molar Refractivity
66.4122
Polarizability
26.63761
Polar Surface Area
62.98
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