Molecule

ID:104809

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₆O₇
Molecular Mass
360.3232
Exact Mass
360.13934701
Charge
0
InChI
InChI=1S/C12H20N6O7/c13-1-7(19)14-2-8(20)15-3-9(21)16-4-10(22)17-5-11(23)18-6-12(24)25/h1-6,13H2,(H,14,19)(H,15,20)(H,16,21)(H,17,22)(H,18,23)(H,24,25)
InChIKey
XJFPXLWGZWAWRQ-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
Isomeric Smiles
NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.3373175
H Acceptors
8
H Donor
7
LogD (pH = 5.5)
-8.938331
LogD (pH = 7.4)
-9.060426
Log P
-8.940674
Molar Refractivity
80.0209
Polarizability
31.356203
Polar Surface Area
208.82
Rotatable Bonds
11
Lipinski's Rule of Five
false
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
References
Bioactivity
Navigation