Molecule

ID:84475

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄Cl₃N₃O
Molecular Mass
406.69296
Exact Mass
405.02024512
Charge
0
InChI
InChI=1S/C19H14Cl3N3O/c20-16-5-3-13(4-6-16)11-25(12-14-2-1-7-23-10-14)19(26)15-8-17(21)24-18(22)9-15/h1-10H,11-12H2
InChIKey
ZXJFHUBYWGPXQS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CN(C(=O)c1cc(Cl)nc(c1)Cl)Cc1cccnc1
Isomeric Smiles
N(C(=O)c1cc(nc(c1)Cl)Cl)(Cc1cccnc1)Cc1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.4650764
LogD (pH = 7.4)
4.536319
Log P
4.5373282
Molar Refractivity
106.3782
Polarizability
40.00664
Polar Surface Area
46.09
Rotatable Bonds
5
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