Molecule

ID:2233

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄O₅
Molecular Mass
274.27372
Exact Mass
274.1277197
Charge
0
InChI
InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m1/s1
InChIKey
UMOXFSXIFQOWTD-ZCFIWIBFSA-N
Canonic Smiles
NC(=N)NCCC[C@H](C(=O)O)NC(=O)CCC(=O)O
Isomeric Smiles
NC(=N)NCCC[C@@H](NC(=O)CCC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2834015
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-4.9316497
LogD (pH = 7.4)
-6.6073604
Log P
-3.7862058
Molar Refractivity
74.2602
Polarizability
24.654247
Polar Surface Area
165.6
Rotatable Bonds
9
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-1.53
LOG S
-2.83
Solubility (Water)
4.10e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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