Molecule

ID:47913

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅BrN₂
Molecular Mass
291.1863
Exact Mass
290.04186049
Charge
0
InChI
InChI=1S/C14H15BrN2/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h2-9H,10,16H2,1H3
InChIKey
GADJLRYTSKBGGY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)N)N(Cc1ccccc1)C
Isomeric Smiles
c1(N(Cc2ccccc2)C)c(cc(cc1)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.740856
LogD (pH = 7.4)
3.7455297
Log P
3.7455895
Molar Refractivity
77.4224
Polarizability
28.561644
Polar Surface Area
29.26
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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