Molecule

ID:48653

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrN₂
Molecular Mass
255.1542
Exact Mass
254.04186049
Charge
0
InChI
InChI=1S/C11H15BrN2/c1-9-4-2-3-7-14(9)11-6-5-10(12)8-13-11/h5-6,8-9H,2-4,7H2,1H3
InChIKey
BLIYMVCMTUQCKH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1)N1CCCCC1C
Isomeric Smiles
N1(c2ncc(cc2)Br)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.44118
LogD (pH = 7.4)
3.4930623
Log P
3.4937685
Molar Refractivity
62.8268
Polarizability
23.640478
Polar Surface Area
16.13
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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