Molecule

ID:64087

General Information
Structure
Molecular Formula
C₂₃H₂₄NO₂P
Molecular Mass
377.415921
Exact Mass
377.15446564
Charge
0
InChI
InChI=1S/C23H24NO2P/c1-23(2,3)26-22(25)24-27(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKey
KNXPVXCUELYHDM-UHFFFAOYSA-N
Canonic Smiles
O=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)OC(C)(C)C
Isomeric Smiles
c1(P(=NC(=O)OC(C)(C)C)(c2ccccc2)c2ccccc2)ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.185
LogD (pH = 7.4)
6.185
Log P
6.185
Molar Refractivity
109.918
Polarizability
43.395115
Polar Surface Area
38.66
Rotatable Bonds
5
Lipinski's Rule of Five
false
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