Molecule

ID:53155

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅Cl₂N₃O₂
Molecular Mass
352.2152
Exact Mass
351.0541321
Charge
0
InChI
InChI=1S/C16H15Cl2N3O2/c17-14-12-6-8-21(9-7-13(12)19-15(18)20-14)16(22)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
ISQBQGSKOWIRSS-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2CCN(CCc2c(n1)Cl)C(=O)OCc1ccccc1
Isomeric Smiles
C1Cc2c(CCN1C(=O)OCc1ccccc1)c(nc(n2)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6529362
LogD (pH = 7.4)
3.6529362
Log P
3.6529362
Molar Refractivity
90.6239
Polarizability
34.353813
Polar Surface Area
55.32
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