Molecule

ID:80141

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅Br₄NO₃
Molecular Mass
518.7783
Exact Mass
514.70029103
Charge
0
InChI
InChI=1S/C11H5Br4NO3/c12-6-4-5(7(13)9(15)8(6)14)11(18)16(10(4)17)1-3-2-19-3/h3H,1-2H2
InChIKey
ZUEKSBNZDDRQKI-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CC2OC2)C(=O)c2c1c(Br)c(c(c2Br)Br)Br
Isomeric Smiles
N1(C(=O)c2c(c(c(c(c2C1=O)Br)Br)Br)Br)CC1OC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8333762
LogD (pH = 7.4)
3.8333762
Log P
3.8333762
Molar Refractivity
83.4474
Polarizability
32.176807
Polar Surface Area
49.91
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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