Molecule

ID:87938

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrNO
Molecular Mass
256.13896
Exact Mass
255.02587607
Charge
0
InChI
InChI=1S/C11H14BrNO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKey
DQGAMPWGTUCNGP-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)CN1CCOCC1
Isomeric Smiles
O1CCN(Cc2cc(ccc2)Br)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1400914
LogD (pH = 7.4)
2.4588523
Log P
2.4648948
Molar Refractivity
61.298
Polarizability
23.76091
Polar Surface Area
12.47
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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