Molecule

ID:47918

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅BrN₂
Molecular Mass
303.197
Exact Mass
302.04186049
Charge
0
InChI
InChI=1S/C15H15BrN2/c16-12-7-8-15(13(17)10-12)18-9-3-5-11-4-1-2-6-14(11)18/h1-2,4,6-8,10H,3,5,9,17H2
InChIKey
YYCNDHDLJLISFO-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)N)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(cc2)Br)N)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.06038
LogD (pH = 7.4)
4.061122
Log P
4.0611315
Molar Refractivity
79.6747
Polarizability
29.601337
Polar Surface Area
29.26
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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