Molecule

ID:114397

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₅O₃
Molecular Mass
315.32718
Exact Mass
315.13313943
Charge
0
InChI
InChI=1S/C15H17N5O3/c1-21-11-4-3-10(9-12(11)22-2)15-18-17-13-5-6-14(19-20(13)15)23-8-7-16/h3-6,9H,7-8,16H2,1-2H3
InChIKey
CLJZLFYLWMBVAU-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc2n(n1)c(nn2)c1ccc(c(c1)OC)OC
Isomeric Smiles
n12c(nnc1ccc(n2)OCCN)c1cc(c(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-1.9195892
LogD (pH = 7.4)
-0.8124015
Log P
1.0417511
Molar Refractivity
106.7443
Polarizability
32.722427
Polar Surface Area
96.79
Rotatable Bonds
6
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