Molecule
ID:35581
General Information
Molecular Formula
C₉H₁₈BrNO
Molecular Mass
236.14932
Exact Mass
235.0571762
Charge
0
InChI
InChI=1S/C9H18BrNO/c1-4-6-7-11(3)9(12)8(10)5-2/h8H,4-7H2,1-3H3
InChIKey
FAIJOPYLMDURBM-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)C(CC)Br)C
Isomeric Smiles
C(=O)(N(CCCC)C)C(Br)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5550885
LogD (pH = 7.4)
2.5550885
Log P
2.5550885
Molar Refractivity
54.8875
Polarizability
21.235903
Polar Surface Area
20.31
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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