Molecule

ID:108100

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₁O₃P
Molecular Mass
352.363401
Exact Mass
352.12283116
Charge
0
InChI
InChI=1S/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey
BKHZQJRTFNFCTG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C
Isomeric Smiles
Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.3526
LogD (pH = 7.4)
7.3526
Log P
7.3526
Molar Refractivity
102.4331
Polarizability
39.551624
Polar Surface Area
27.69
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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