Molecule

ID:79339

General Information
Structure
Molecular Formula
C₁₆H₁₄ClNO₃
Molecular Mass
303.74026
Exact Mass
303.06622099
Charge
0
InChI
InChI=1S/C16H14ClNO3/c1-9-7-12(11(3)19)8-10(2)14(9)21-16(20)13-5-4-6-18-15(13)17/h4-8H,1-3H3
InChIKey
AVPONCKXUSKBBA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1OC(=O)c1cccnc1Cl)C)C(=O)C
Isomeric Smiles
O(c1c(cc(cc1C)C(=O)C)C)C(=O)c1cccnc1Cl
Calculated Properties
JChem
Acid pKa
16.198944
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8257203
LogD (pH = 7.4)
3.825721
Log P
3.825721
Molar Refractivity
82.0553
Polarizability
30.819948
Polar Surface Area
56.26
Rotatable Bonds
4
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