Molecule

ID:77822

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂O₂
Molecular Mass
242.35774
Exact Mass
242.19942808
Charge
0
InChI
InChI=1S/C13H26N2O2/c1-10(2)14-11-6-8-15(9-7-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKey
GVPSIFSYYZXVQC-UHFFFAOYSA-N
Canonic Smiles
CC(NC1CCN(CC1)C(=O)OC(C)(C)C)C
Isomeric Smiles
N1(CCC(CC1)NC(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7278434
LogD (pH = 7.4)
-1.3846632
Log P
1.5074557
Molar Refractivity
69.0123
Polarizability
27.371313
Polar Surface Area
41.57
Rotatable Bonds
4
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
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References
Bioactivity
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