Molecule

ID:39507

General Information
Structure
Molecular Formula
C₁₅H₂₆N₂O₄
Molecular Mass
298.37794
Exact Mass
298.18925732
Charge
0
InChI
InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKey
LEJHMMZZSDZTLY-LBPRGKRZSA-N
Canonic Smiles
OC(=O)[C@@H]1CCCN1C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1N(CCC(C1)N1[C@@H](CCC1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
1.3578227
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5178825
LogD (pH = 7.4)
-1.5184641
Log P
-1.5178815
Molar Refractivity
78.5105
Polarizability
30.888054
Polar Surface Area
70.08
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation