Molecule
ID:120020
General Information
Molecular Formula
C₁₄H₁₀Cl₂N₂O₃
Molecular Mass
325.1468
Exact Mass
324.00684755
Charge
0
InChI
InChI=1S/C14H10Cl2N2O3/c1-20-9-2-3-10-8(4-12(19)21-11(10)5-9)6-18-7-17-13(15)14(18)16/h2-5,7H,6H2,1H3
InChIKey
FGERGSUCLLSENO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)oc(=O)cc2Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(nc1)Cl)Cl)Cc1c2c(oc(=O)c1)cc(cc2)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3831131
LogD (pH = 7.4)
2.384599
Log P
2.3846178
Molar Refractivity
80.3887
Polarizability
30.446016
Polar Surface Area
53.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...