Molecule

ID:102517

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N₃O₃
Molecular Mass
189.2123
Exact Mass
189.11134136
Charge
0
InChI
InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
InChIKey
XIGSAGMEBXLVJJ-YFKPBYRVSA-N
Canonic Smiles
NC(=O)NCCCC[C@@H](C(=O)O)N
Isomeric Smiles
N[C@@H](CCCCNC(=O)N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.352788
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-3.4876945
LogD (pH = 7.4)
-3.4904602
Log P
-3.4876025
Molar Refractivity
45.93
Polarizability
18.115648
Polar Surface Area
118.44
Rotatable Bonds
6
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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