Molecule

ID:35556

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈BrNO
Molecular Mass
248.16002
Exact Mass
247.0571762
Charge
0
InChI
InChI=1S/C10H18BrNO/c1-3-9(11)10(13)12-6-4-8(2)5-7-12/h8-9H,3-7H2,1-2H3
InChIKey
RNYWXFNNVKILRT-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)N1CCC(CC1)C)Br
Isomeric Smiles
N1(C(=O)C(Br)CC)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3685749
LogD (pH = 7.4)
2.3685749
Log P
2.3685749
Molar Refractivity
57.7045
Polarizability
22.351053
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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