Molecule

ID:44132

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrNO₄
Molecular Mass
304.13716
Exact Mass
303.01061993
Charge
0
InChI
InChI=1S/C11H14BrNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h5-6H,1-4H3
InChIKey
BLWTUIPDLAVPHI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(cn1C(=O)OC(C)(C)C)Br
Isomeric Smiles
n1(c(cc(c1)Br)C(=O)OC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7384205
LogD (pH = 7.4)
2.7384205
Log P
2.7384205
Molar Refractivity
65.0419
Polarizability
25.414906
Polar Surface Area
57.53
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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