Molecule

ID:1564

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀Cl₂N₂O₄
Molecular Mass
377.1783
Exact Mass
376.00176217
Charge
0
InChI
InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
InChIKey
ONVZFCHLOZUXRP-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C1=C(Nc2ccc(c(c2)C(=O)O)Cl)C(=O)NC1=O
Isomeric Smiles
c1ccc(cc1C1=C(C(=O)NC1=O)Nc1ccc(c(c1)C(=O)O)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.7255032
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.0392227
LogD (pH = 7.4)
-0.4904413
Log P
2.8135014
Molar Refractivity
94.6272
Polarizability
35.004642
Polar Surface Area
95.5
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.43
LOG S
-5.25
Solubility (Water)
2.14e-03 g/l
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
References
Bioactivity
Navigation