Molecule

ID:74869

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀BrOP
Molecular Mass
387.249961
Exact Mass
386.04351389
Charge
0
InChI
InChI=1S/C20H20OP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKey
QZJOQNHOOVSESC-UHFFFAOYSA-M
Canonic Smiles
OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCO.[Br-]
Calculated Properties
JChem
Acid pKa
15.425863
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7817814
LogD (pH = 7.4)
3.7817814
Log P
3.7817814
Molar Refractivity
93.6675
Polarizability
36.838673
Polar Surface Area
20.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
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
References
Bioactivity
Navigation