Molecule

ID:59957

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃O₃
Molecular Mass
231.29204
Exact Mass
231.15829155
Charge
0
InChI
InChI=1S/C10H21N3O3/c1-6(2)7(8(14)13-11)12-9(15)16-10(3,4)5/h6-7H,11H2,1-5H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKey
WMBPJIUIZSZLSH-ZETCQYMHSA-N
Canonic Smiles
NNC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)NN)C(C)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.729362
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.69652957
LogD (pH = 7.4)
0.6974494
Log P
0.697463
Molar Refractivity
60.6722
Polarizability
23.736328
Polar Surface Area
93.45
Rotatable Bonds
5
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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