Molecule

ID:103356

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃O₁₀
Molecular Mass
393.34652
Exact Mass
393.13834395
Charge
0
InChI
InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKey
QPCDCPDFJACHGM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
Isomeric Smiles
OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-18.07
LogD (pH = 5.5)
-11.36
Log P
-5.14
Rotatable Bonds
16
H Donor
5
H Acceptors
13
Lipinski's Rule of Five
false
Acid pKa
1.37
Polar Surface Area
196.22
Polarizability
36.41
Molar Refractivity
86.45
LOG S
0.73
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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