Molecule

ID:35563

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄BrNO
Molecular Mass
220.10686
Exact Mass
219.02587607
Charge
0
InChI
InChI=1S/C8H14BrNO/c1-2-7(9)8(11)10-5-3-4-6-10/h7H,2-6H2,1H3
InChIKey
WWXPVFHKDNSIJF-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)N1CCCC1)Br
Isomeric Smiles
C(=O)(N1CCCC1)C(Br)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.636987
LogD (pH = 7.4)
1.636987
Log P
1.636987
Molar Refractivity
48.5549
Polarizability
18.72869
Polar Surface Area
20.31
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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