Molecule

ID:79389

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀BrNO₄
Molecular Mass
276.084
Exact Mass
274.97931981
Charge
0
InChI
InChI=1S/C9H10BrNO4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,5H2,1-2H3
InChIKey
UEKFEYNZISYRRH-UHFFFAOYSA-N
Canonic Smiles
COc1cc([N+](=O)[O-])c(cc1OC)CBr
Isomeric Smiles
O(c1cc(c(cc1OC)[N+](=O)[O-])CBr)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3706248
LogD (pH = 7.4)
2.3706248
Log P
2.3706248
Molar Refractivity
59.1595
Polarizability
22.022633
Polar Surface Area
64.28
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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