Molecule

ID:36544

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₃
Molecular Mass
225.62842
Exact Mass
225.0192708
Charge
0
InChI
InChI=1S/C10H8ClNO3/c1-6-2-3-7(14-6)4-8-9(5-11)12-15-10(8)13/h2-4H,5H2,1H3/b8-4+
InChIKey
CHKFFQGOYULBML-XBXARRHUSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccc(o1)C
Isomeric Smiles
C\1(=C\c2oc(cc2)C)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4591577
LogD (pH = 7.4)
2.4591584
Log P
2.4591584
Molar Refractivity
55.3086
Polarizability
20.696268
Polar Surface Area
51.8
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