Molecule

ID:48312

General Information
Structure
Molecular Formula
C₁₅H₁₇BrN₂
Molecular Mass
305.21288
Exact Mass
304.05751055
Charge
0
InChI
InChI=1S/C15H17BrN2/c1-3-18(11-13-7-5-4-6-8-13)15-9-12(2)14(16)10-17-15/h4-10H,3,11H2,1-2H3
InChIKey
ZENIPTNXSTZNMP-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ncc(c(c1)C)Br)Cc1ccccc1
Isomeric Smiles
c1(ncc(c(c1)C)Br)N(Cc1ccccc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.512378
LogD (pH = 7.4)
4.8156943
Log P
4.82153
Molar Refractivity
80.6684
Polarizability
30.1337
Polar Surface Area
16.13
Rotatable Bonds
4
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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