Molecule

ID:77787

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂Cl₂N₂O₂
Molecular Mass
203.06698
Exact Mass
202.02758299
Charge
0
InChI
InChI=1S/C5H10N2O2.2ClH/c6-5(4(8)9)1-2-7-3-5;;/h7H,1-3,6H2,(H,8,9);2*1H/t5-;;/m1../s1
InChIKey
QSEXWEVETNRNPY-ZJIMSODOSA-N
Canonic Smiles
OC(=O)[C@]1(N)CNCC1.Cl.Cl
Isomeric Smiles
N1C[C@@](CC1)(N)C(=O)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
1.6936268
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-5.012575
LogD (pH = 7.4)
-3.8791716
Log P
-3.8119276
Molar Refractivity
31.3342
Polarizability
12.82288
Polar Surface Area
75.35
Rotatable Bonds
1
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