Molecule

ID:110873

General Information
Structure
MolImage
Molecular Formula
C₃₀H₂₅NOP₂
Molecular Mass
477.473122
Exact Mass
477.14113769
Charge
0
InChI
InChI=1S/C30H25NOP2/c32-34(29-22-12-4-13-23-29,30-24-14-5-15-25-30)31-33(26-16-6-1-7-17-26,27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-25H
InChIKey
BXXYQIADDPAMGV-UHFFFAOYSA-N
Canonic Smiles
O=P(c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
O=P(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.011019
LogD (pH = 7.4)
8.203696
Log P
8.2068
Molar Refractivity
141.7144
Polarizability
56.081635
Polar Surface Area
29.43
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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