Molecule

ID:38293

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅Cl₂N₅O
Molecular Mass
362.2979
Exact Mass
361.14361581
Charge
0
InChI
InChI=1S/C15H23N5O.2ClH/c1-10(21)20-7-5-13-12(9-20)15(16-2)19-14(18-13)11-4-3-6-17-8-11;;/h11,17H,3-9H2,1-2H3,(H,16,18,19);2*1H
InChIKey
LDBVMZJGBZAXRT-UHFFFAOYSA-N
Canonic Smiles
CNc1nc(nc2c1CN(CC2)C(=O)C)C1CCCNC1.Cl.Cl
Isomeric Smiles
c12c(nc(nc1CCN(C2)C(=O)C)C1CNCCC1)NC.Cl.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.029794
LogD (pH = 7.4)
-1.8237662
Log P
0.2524161
Molar Refractivity
83.6773
Polarizability
31.13373
Polar Surface Area
70.15
Rotatable Bonds
2
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