Molecule

ID:75261

General Information
Structure
Molecular Formula
C₁₄H₈Cl₂N₂O₂
Molecular Mass
307.13152
Exact Mass
305.99628287
Charge
0
InChI
InChI=1S/C14H8Cl2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,19H,(H,17,18,20)
InChIKey
IZKYBVYMLNWKGE-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)c1nc2ccccc2c(=O)[nH]1)O
Isomeric Smiles
[nH]1c(nc2ccccc2c1=O)c1cc(cc(c1O)Cl)Cl
Calculated Properties
JChem
Acid pKa
6.7000365
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.5057864
LogD (pH = 7.4)
2.7701175
Log P
3.532139
Molar Refractivity
79.6509
Polarizability
28.995964
Polar Surface Area
61.69
Rotatable Bonds
1
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