Molecule

ID:78773

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄Cl₂N₂O
Molecular Mass
321.20116
Exact Mass
320.04831844
Charge
0
InChI
InChI=1S/C16H14Cl2N2O/c1-16(10-17)19-14-5-3-2-4-13(14)15(21)20(16)12-8-6-11(18)7-9-12/h2-9,19H,10H2,1H3
InChIKey
PDHJWVYMASMEIK-UHFFFAOYSA-N
Canonic Smiles
ClCC1(C)Nc2ccccc2C(=O)N1c1ccc(cc1)Cl
Isomeric Smiles
N1(c2ccc(cc2)Cl)C(=O)c2c(cccc2)NC1(CCl)C
Calculated Properties
JChem
Acid pKa
12.160687
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.722925
LogD (pH = 7.4)
4.722918
Log P
4.722925
Molar Refractivity
86.8397
Polarizability
32.566063
Polar Surface Area
32.34
Rotatable Bonds
2
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