Molecule
ID:84151
General Information
Molecular Formula
C₂₃H₃₄N₃O₆PS
Molecular Mass
511.571321
Exact Mass
511.19059345
Charge
0
InChI
InChI=1S/C23H34N3O6PS/c1-7-30-33(34,31-8-2)32-22-18(16(3)24-23(25-22)26-11-9-10-12-26)13-17-14-19(27-4)21(29-6)20(15-17)28-5/h14-15H,7-13H2,1-6H3
InChIKey
PZCBTDANAVGCSN-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(Oc1nc(nc(c1Cc1cc(OC)c(c(c1)OC)OC)C)N1CCCC1)OCC
Isomeric Smiles
n1c(c(c(nc1N1CCCC1)C)Cc1cc(c(c(c1)OC)OC)OC)OP(=S)(OCC)OCC
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
4.921023
LogD (pH = 7.4)
4.988021
Log P
4.9889474
Molar Refractivity
137.9762
Polarizability
53.148228
Polar Surface Area
84.4
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...