Molecule

ID:55075

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₃N₂O
Molecular Mass
339.60376
Exact Mass
337.97804596
Charge
0
InChI
InChI=1S/C15H8Cl2N2O.ClH/c16-10-1-2-13-11(7-10)12(15(17)20)8-14(19-13)9-3-5-18-6-4-9;/h1-8H;1H
InChIKey
BPUWUXAWJQSQRP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)c1ccncc1)C(=O)Cl.Cl
Isomeric Smiles
c1(c2c(nc(c1)c1ccncc1)ccc(c2)Cl)C(=O)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7234514
LogD (pH = 7.4)
3.7410312
Log P
3.741261
Molar Refractivity
78.5061
Polarizability
32.606304
Polar Surface Area
42.85
Rotatable Bonds
2
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