Molecule

ID:107504

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₁O₃P
Molecular Mass
352.363401
Exact Mass
352.12283116
Charge
0
InChI
InChI=1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
InChIKey
UYUUAUOYLFIRJG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)P(c1ccc(cc1)OC)c1ccc(cc1)OC
Isomeric Smiles
COc1ccc(cc1)P(c1ccc(OC)cc1)c1ccc(OC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3485
LogD (pH = 7.4)
4.3485
Log P
4.3485
Molar Refractivity
101.0125
Polarizability
39.786285
Polar Surface Area
27.69
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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