Molecule

ID:85894

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClN₂O₂
Molecular Mass
192.64332
Exact Mass
192.06655535
Charge
0
InChI
InChI=1S/C7H13ClN2O2/c1-7(2,3)6(11)12-10-5(9)4-8/h4H2,1-3H3,(H2,9,10)
InChIKey
VIENVDRNSMYKBJ-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N/OC(=O)C(C)(C)C)/N
Isomeric Smiles
N(=C(\N)/CCl)\OC(=O)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5159426
LogD (pH = 7.4)
1.5161289
Log P
1.5161313
Molar Refractivity
46.0168
Polarizability
18.174437
Polar Surface Area
64.68
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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