Molecule

ID:65254

General Information
Structure
Molecular Formula
C₁₃H₂₄N₂O₃
Molecular Mass
256.34126
Exact Mass
256.17869264
Charge
0
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-5-13(10-15)9-14-6-8-17-13/h14H,4-10H2,1-3H3
InChIKey
KSLJZAAAQPGVRM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC2(C1)CNCCO2)OC(C)(C)C
Isomeric Smiles
C12(OCCNC1)CN(CCC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9161537
LogD (pH = 7.4)
-0.24664447
Log P
0.89674395
Molar Refractivity
68.5882
Polarizability
27.356264
Polar Surface Area
50.8
Rotatable Bonds
2
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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