Molecule

ID:35028

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆BrNO
Molecular Mass
258.15484
Exact Mass
257.04152614
Charge
0
InChI
InChI=1S/C11H16BrNO/c1-13(6-7-14-2)9-10-4-3-5-11(12)8-10/h3-5,8H,6-7,9H2,1-2H3
InChIKey
SNEAWWZXTLDJDF-UHFFFAOYSA-N
Canonic Smiles
COCCN(Cc1cccc(c1)Br)C
Isomeric Smiles
c1(CN(CCOC)C)cc(Br)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.18771824
LogD (pH = 7.4)
1.5727793
Log P
2.6364198
Molar Refractivity
63.267
Polarizability
24.470516
Polar Surface Area
12.47
Rotatable Bonds
5
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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