Molecule

ID:30636

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₄O
Molecular Mass
296.3669
Exact Mass
296.16371128
Charge
0
InChI
InChI=1S/C17H20N4O/c1-12-3-8-15-20-16(13-4-6-14(18)7-5-13)17(21(15)11-12)19-9-10-22-2/h3-8,11,19H,9-10,18H2,1-2H3
InChIKey
AAQKKNZOYLLLOZ-UHFFFAOYSA-N
Canonic Smiles
COCCNc1c(nc2n1cc(C)cc2)c1ccc(cc1)N
Isomeric Smiles
n12c(c(nc1ccc(c2)C)c1ccc(N)cc1)NCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.65967214
LogD (pH = 7.4)
1.7797308
Log P
1.9922142
Molar Refractivity
90.9328
Polarizability
34.50272
Polar Surface Area
64.58
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