Molecule

ID:125970

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₄O₂
Molecular Mass
202.25412
Exact Mass
202.14297584
Charge
0
InChI
InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
InChIKey
YDGMGEXADBMOMJ-LURJTMIESA-N
Canonic Smiles
OC(=O)[C@H](CCCNC(=N)N(C)C)N
Isomeric Smiles
CN(C)C(=N)NCCC[C@H](N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.5396655
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.525824
LogD (pH = 7.4)
-4.299206
Log P
-2.6065567
Molar Refractivity
63.9924
Polarizability
20.554567
Polar Surface Area
102.44
Rotatable Bonds
5
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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