Molecule

ID:44065

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₃O₂
Molecular Mass
259.30368
Exact Mass
259.1320768
Charge
0
InChI
InChI=1S/C14H17N3O2/c1-4-19-14(18)13-11(3)17(16-15-13)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKey
WTHNJWJCZRLSAM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnn(c1C)Cc1ccc(cc1)C
Isomeric Smiles
c1(nnn(c1C)Cc1ccc(cc1)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.003821
LogD (pH = 7.4)
3.0038211
Log P
3.0038211
Molar Refractivity
84.5238
Polarizability
27.424242
Polar Surface Area
57.01
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