Molecule

ID:116168

General Information
Structure
Molecular Formula
C₁₀H₁₅NO₄
Molecular Mass
213.2304
Exact Mass
213.10010797
Charge
0
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-5-6-4-7(11)8(12)14-6/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKey
LRUFZHMJIBJMPC-MLWJPKLSSA-N
Canonic Smiles
O=C(N1C[C@@H]2C[C@@H]1C(=O)O2)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H]2C(=O)O[C@@H](C2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7028252
LogD (pH = 7.4)
0.7028252
Log P
0.7028252
Molar Refractivity
50.8851
Polarizability
20.463947
Polar Surface Area
55.84
Rotatable Bonds
2
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation