Molecule

ID:113051

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆BrClNO₃P
Molecular Mass
344.569701
Exact Mass
342.97396969
Charge
0
InChI
InChI=1S/C10H15BrNO3P.ClH/c1-3-14-16(13,15-4-2)8-10-6-5-9(11)7-12-10;/h5-7H,3-4,8H2,1-2H3;1H
InChIKey
DIMLQTYSAQOFAL-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1ccc(cn1)Br)OCC.Cl
Isomeric Smiles
P(=O)(Cc1ncc(Br)cc1)(OCC)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0892687
LogD (pH = 7.4)
2.0896702
Log P
2.0896754
Molar Refractivity
65.5675
Polarizability
26.25117
Polar Surface Area
48.42
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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