Molecule

ID:48306

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅BrN₂
Molecular Mass
291.1863
Exact Mass
290.04186049
Charge
0
InChI
InChI=1S/C14H15BrN2/c1-11-8-14(16-9-13(11)15)17(2)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKey
LRQGVSHJDDGSHZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncc(c(c1)C)Br)Cc1ccccc1
Isomeric Smiles
c1(ncc(c(c1)C)Br)N(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.139811
LogD (pH = 7.4)
4.45845
Log P
4.4647217
Molar Refractivity
75.9198
Polarizability
28.300934
Polar Surface Area
16.13
Rotatable Bonds
3
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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