Molecule

ID:90134

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrClN₂
Molecular Mass
235.50882
Exact Mass
233.95593795
Charge
0
InChI
InChI=1S/C7H7BrN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKey
IMTHEBSPHHMJOJ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(cc1)Br.Cl
Isomeric Smiles
N=C(c1ccc(cc1)Br)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.752848
LogD (pH = 7.4)
-0.7417127
Log P
1.6624669
Molar Refractivity
55.3533
Polarizability
16.821556
Polar Surface Area
49.87
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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