Molecule

ID:25236

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrN₂
Molecular Mass
255.1542
Exact Mass
254.04186049
Charge
0
InChI
InChI=1S/C11H15BrN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2
InChIKey
TUKZQYYLUARXKM-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)CN1CCNCC1
Isomeric Smiles
N1(Cc2cc(Br)ccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.97234905
LogD (pH = 7.4)
0.34141332
Log P
2.147467
Molar Refractivity
62.9789
Polarizability
24.552326
Polar Surface Area
15.27
Rotatable Bonds
2
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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