Molecule

ID:135429

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀Br₃ClNO₃P
Molecular Mass
450.287261
Exact Mass
446.7636935
Charge
0
InChI
InChI=1S/C6H10Br3ClNO3P/c7-6(8,9)5-14-15(10,12)11-1-3-13-4-2-11/h1-5H2
InChIKey
LROSUTJPBMEPEY-UHFFFAOYSA-N
Canonic Smiles
BrC(COP(=O)(N1CCOCC1)Cl)(Br)Br
Isomeric Smiles
C1COCCN1P(=O)(OCC(Br)(Br)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8035035
LogD (pH = 7.4)
1.8035035
Log P
1.8035035
Molar Refractivity
71.4892
Polarizability
28.19934
Polar Surface Area
38.77
Rotatable Bonds
4
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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