Molecule

ID:22824

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₃
Molecular Mass
306.7442
Exact Mass
306.07712003
Charge
0
InChI
InChI=1S/C15H15ClN2O3/c1-20-14-7-4-11(17)8-13(14)18-15(19)9-21-12-5-2-10(16)3-6-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
OHHPGQJJXGJQFK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)COc1ccc(cc1)Cl)N
Isomeric Smiles
c1(NC(=O)COc2ccc(Cl)cc2)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.566123
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.2990184
LogD (pH = 7.4)
2.344664
Log P
2.345307
Molar Refractivity
82.8515
Polarizability
31.023708
Polar Surface Area
73.58
Rotatable Bonds
5
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