Molecule

ID:66609

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrN₂O
Molecular Mass
251.07938
Exact Mass
249.97417485
Charge
0
InChI
InChI=1S/C10H7BrN2O/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h1-7H
InChIKey
ZFECRMYYOMVREH-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(nc1)Oc1ccccc1
Isomeric Smiles
c1(ncc(cn1)Br)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9975612
LogD (pH = 7.4)
2.9975612
Log P
2.9975612
Molar Refractivity
56.5319
Polarizability
21.691132
Polar Surface Area
35.01
Rotatable Bonds
2
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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