Molecule

ID:62073

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrN₂OS
Molecular Mass
303.2186
Exact Mass
302.00884611
Charge
0
InChI
InChI=1S/C11H15BrN2OS/c1-7-10(12)16-11(13-7)9-4-3-5-14(6-9)8(2)15/h9H,3-6H2,1-2H3
InChIKey
OQBAZJWBMIPVNX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCCC(C1)c1nc(c(s1)Br)C
Isomeric Smiles
c1(sc(c(n1)C)Br)C1CN(C(=O)C)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6906275
LogD (pH = 7.4)
1.6906494
Log P
1.6906497
Molar Refractivity
66.9248
Polarizability
26.193943
Polar Surface Area
33.2
Rotatable Bonds
1
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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