Molecule

ID:83194

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₃N₂O₂
Molecular Mass
293.53378
Exact Mass
291.95731051
Charge
0
InChI
InChI=1S/C10H7Cl3N2O2/c1-5-14-7-3-2-6(4-8(7)17-5)15-9(16)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKey
JFEOTHXVFJYFHJ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2c(o1)cc(cc2)NC(=O)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(oc2cc(ccc12)NC(=O)C(Cl)(Cl)Cl)C
Calculated Properties
JChem
Acid pKa
11.700112
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4330153
LogD (pH = 7.4)
2.4330082
Log P
2.433029
Molar Refractivity
67.5414
Polarizability
26.128527
Polar Surface Area
55.13
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