Molecule

ID:130815

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₉
Molecular Mass
364.34836
Exact Mass
364.14818036
Charge
0
InChI
InChI=1S/C14H22N2O8.H2O/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2/t9-,10-;/m1./s1
InChIKey
VASZYFIKPKYGNC-DHTOPLTISA-N
Canonic Smiles
OC(=O)CN([C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O)CC(=O)O.O
Isomeric Smiles
C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O
Calculated Properties
JChem
Acid pKa
2.0010989
H Acceptors
10
H Donor
4
LogD (pH = 5.5)
-8.755355
LogD (pH = 7.4)
-13.099518
Log P
-4.1247034
Molar Refractivity
78.429
Polarizability
31.216417
Polar Surface Area
155.68
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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