Molecule

ID:70222

General Information
Structure
MolImage
Molecular Formula
C₇H₉BrN₂
Molecular Mass
201.06376
Exact Mass
199.9949103
Charge
0
InChI
InChI=1S/C7H9BrN2/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3
InChIKey
XEBMNCFTJBFRJG-UHFFFAOYSA-N
Canonic Smiles
Brc1nccc(c1)N(C)C
Isomeric Smiles
c1(cc(ccn1)N(C)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.685731
LogD (pH = 7.4)
1.8355719
Log P
1.8378919
Molar Refractivity
46.7947
Polarizability
17.116354
Polar Surface Area
16.13
Rotatable Bonds
1
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
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References
Bioactivity
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