Molecule

ID:41257

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c1-2-9-18-13-4-6-14(7-5-13)19-15-8-3-12(10-16)11-17-15/h3-8,11H,2,9H2,1H3
InChIKey
KLWKEYUNRCQTLT-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)Oc1ccc(cn1)C#N
Isomeric Smiles
c1c(cnc(c1)Oc1ccc(cc1)OCCC)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4280734
LogD (pH = 7.4)
3.4280734
Log P
3.4280734
Molar Refractivity
71.9128
Polarizability
27.79006
Polar Surface Area
55.14
Rotatable Bonds
5
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