Molecule

ID:65262

General Information
Structure
Molecular Formula
C₁₂H₂₀N₂O₆
Molecular Mass
288.297
Exact Mass
288.13213637
Charge
0
InChI
InChI=1S/C10H18N2O2.C2H2O4/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h11H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
UMRJVCJJEKXMNB-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2(C1)CNC2)OC(C)(C)C.OC(=O)C(=O)O
Isomeric Smiles
C12(CN(C1)C(=O)OC(C)(C)C)CNC2.C(=O)(O)C(=O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9816897
LogD (pH = 7.4)
-2.2225325
Log P
0.23315787
Molar Refractivity
53.0644
Polarizability
21.132917
Polar Surface Area
41.57
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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