Molecule

ID:66367

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₄O₂
Molecular Mass
298.76856
Exact Mass
298.11965355
Charge
0
InChI
InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-5-4-10(14)15-16-11/h4-5H,6-9H2,1-3H3
InChIKey
MIXODQAAOQHDTG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)c1ccc(nn1)Cl)OC(C)(C)C
Isomeric Smiles
N1(CCN(CC1)c1ccc(nn1)Cl)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.049612
LogD (pH = 7.4)
2.0497892
Log P
2.0497913
Molar Refractivity
80.1231
Polarizability
29.445341
Polar Surface Area
58.56
Rotatable Bonds
3
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