Molecule

ID:92568

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrN₂
Molecular Mass
241.12762
Exact Mass
240.02621043
Charge
0
InChI
InChI=1S/C10H13BrN2/c1-12-5-6-13(2)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6H2,1-2H3
InChIKey
BVWZHBZUOICVIU-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)N(C)CCN2C
Isomeric Smiles
N1(c2c(cc(cc2)Br)N(CC1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7855186
LogD (pH = 7.4)
2.7865481
Log P
2.7865613
Molar Refractivity
60.569
Polarizability
21.997343
Polar Surface Area
6.48
Rotatable Bonds
0
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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