Molecule

ID:46105

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrClN₂O
Molecular Mass
265.5348
Exact Mass
263.96650263
Charge
0
InChI
InChI=1S/C8H9BrN2O.ClH/c9-7-2-1-3-8(11-7)12-6-4-10-5-6;/h1-3,6,10H,4-5H2;1H
InChIKey
OIJUSPGAWKJDPS-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(n1)OC1CNC1.Cl
Isomeric Smiles
n1c(OC2CNC2)cccc1Br.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0972822
LogD (pH = 7.4)
0.5833043
Log P
1.690473
Molar Refractivity
49.5684
Polarizability
19.342192
Polar Surface Area
34.15
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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