Molecule

ID:70804

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrNO
Molecular Mass
202.04852
Exact Mass
200.97892588
Charge
0
InChI
InChI=1S/C7H8BrNO/c1-5-3-6(8)4-9-7(5)10-2/h3-4H,1-2H3
InChIKey
RHYCFMXPPGZHAW-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(cc1C)Br
Isomeric Smiles
c1(c(cc(cn1)Br)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.474463
LogD (pH = 7.4)
2.4745328
Log P
2.4745336
Molar Refractivity
43.3418
Polarizability
16.588634
Polar Surface Area
22.12
Rotatable Bonds
1
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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