Molecule
ID:84949
General Information
Molecular Formula
C₃₄H₂₆N₃O₂P
Molecular Mass
539.562901
Exact Mass
539.17626372
Charge
0
InChI
InChI=1S/C34H26N3O2P/c38-33-26-32(36(27-16-6-1-7-17-27)34(39)37(33)28-18-8-2-9-19-28)35-40(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H
InChIKey
UTVWJMQGBQSTBA-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(c(=O)n1c1ccccc1)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(=O)n(c2ccccc2)c(=O)cc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
8.309
LogD (pH = 7.4)
8.310284
Log P
8.3103
Molar Refractivity
168.3547
Polarizability
61.407547
Polar Surface Area
52.98
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...