Molecule

ID:103859

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅N₇O₇
Molecular Mass
403.391
Exact Mass
403.18154618
Charge
0
InChI
InChI=1S/C14H25N7O7/c15-5-9(22)20-7(2-1-3-18-14(16)17)12(26)19-6-10(23)21-8(13(27)28)4-11(24)25/h7-8H,1-6,15H2,(H,19,26)(H,20,22)(H,21,23)(H,24,25)(H,27,28)(H4,16,17,18)
InChIKey
SEFVRKXJJPMVHQ-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CC(=O)O)CCCNC(=N)N
Isomeric Smiles
NCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.014647
H Acceptors
11
H Donor
9
LogD (pH = 5.5)
-8.78303
LogD (pH = 7.4)
-8.859771
Log P
-8.749071
Molar Refractivity
102.8629
Polarizability
36.099792
Polar Surface Area
249.82
Rotatable Bonds
13
Lipinski's Rule of Five
false
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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