Molecule

ID:62418

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O₃
Molecular Mass
229.27616
Exact Mass
229.14264148
Charge
0
InChI
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-12-7(6-13)8(11)14/h7,12H,4-6H2,1-3H3,(H2,11,14)
InChIKey
RNNSDOSONODDLH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1NCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CC(C(=O)N)NCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.039911
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4463714
LogD (pH = 7.4)
-0.59766835
Log P
-0.56261677
Molar Refractivity
58.096
Polarizability
23.118917
Polar Surface Area
84.66
Rotatable Bonds
3
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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