Molecule
ID:55087
General Information
Molecular Formula
C₁₇H₁₄Cl₂N₂O
Molecular Mass
333.21186
Exact Mass
332.04831844
Charge
0
InChI
InChI=1S/C17H13ClN2O.ClH/c1-10-5-6-13-14(17(18)21)8-15(20-16(13)11(10)2)12-4-3-7-19-9-12;/h3-9H,1-2H3;1H
InChIKey
UDBQZEVKBORFGJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1ccc(c2C)C)c1cccnc1.Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)C)C(=O)Cl)c1cnccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.140383
LogD (pH = 7.4)
4.1637506
Log P
4.164059
Molar Refractivity
83.7837
Polarizability
34.31436
Polar Surface Area
42.85
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...