Molecule

ID:54580

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrNO₃
Molecular Mass
272.0953
Exact Mass
270.98440519
Charge
0
InChI
InChI=1S/C10H10BrNO3/c1-13-10(14-2)8-4-6-3-7(11)5-12-9(6)15-8/h3-5,10H,1-2H3
InChIKey
IXLMUAFAQHGKIM-UHFFFAOYSA-N
Canonic Smiles
COC(c1cc2c(o1)ncc(c2)Br)OC
Isomeric Smiles
c1(cnc2c(c1)cc(o2)C(OC)OC)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.125592
LogD (pH = 7.4)
2.125592
Log P
2.125592
Molar Refractivity
57.5433
Polarizability
22.95762
Polar Surface Area
44.49
Rotatable Bonds
3
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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