Molecule

ID:59953

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃N₃O₃
Molecular Mass
245.31862
Exact Mass
245.17394161
Charge
0
InChI
InChI=1S/C11H23N3O3/c1-11(2,3)17-10(16)13-8-6-4-5-7-9(15)14-12/h4-8,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
LGCRHWFCTHTSHD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(OC(C)(C)C)NCCCCCC(=O)NN
Calculated Properties
JChem
Acid pKa
12.648756
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.6534613
LogD (pH = 7.4)
0.6559803
Log P
0.6560148
Molar Refractivity
65.8391
Polarizability
25.567127
Polar Surface Area
93.45
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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