Molecule

ID:48635

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅BrN₂
Molecular Mass
291.1863
Exact Mass
290.04186049
Charge
0
InChI
InChI=1S/C14H15BrN2/c1-11-8-13(15)9-16-14(11)17(2)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKey
SYSOCGUXKGBVDN-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)C)N(Cc1ccccc1)C
Isomeric Smiles
c1(ncc(cc1C)Br)N(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.323133
LogD (pH = 7.4)
4.4625926
Log P
4.4647217
Molar Refractivity
75.9198
Polarizability
28.30141
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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