Molecule

ID:17004

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₃
Molecular Mass
225.62842
Exact Mass
225.0192708
Charge
0
InChI
InChI=1S/C10H8ClNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKey
FFHKAMWMJDAWMZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1ON=C(C1)c1ccc(cc1)Cl
Isomeric Smiles
C1(=NOC(C1)C(=O)O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
2.6680174
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.15901826
LogD (pH = 7.4)
-1.3002403
Log P
1.5456758
Molar Refractivity
53.5398
Polarizability
20.851213
Polar Surface Area
58.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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