Molecule

ID:80885

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉N₂O₃P
Molecular Mass
402.382321
Exact Mass
402.11332911
Charge
0
InChI
InChI=1S/C23H19N2O3P/c1-17-21(22(25-28-17)18-11-5-2-6-12-18)24-23(26)29(27,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H,24,26)
InChIKey
XYYVQWVXWUADQO-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(c1NC(=O)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)c(c(o1)C)NC(=O)P(=O)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.552788
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.561461
LogD (pH = 7.4)
5.5585294
Log P
5.5615
Molar Refractivity
114.4451
Polarizability
44.66935
Polar Surface Area
72.2
Rotatable Bonds
5
Lipinski's Rule of Five
false
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