Molecule

ID:65431

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁BrN₄S
Molecular Mass
263.15804
Exact Mass
261.98877937
Charge
0
InChI
InChI=1S/C7H11BrN4S/c8-6-10-11-7(13-6)12-4-1-2-9-3-5-12/h9H,1-5H2
InChIKey
OIMOFEIMUFTFCL-UHFFFAOYSA-N
Canonic Smiles
Brc1nnc(s1)N1CCNCCC1
Isomeric Smiles
c1(sc(nn1)Br)N1CCCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.029715
LogD (pH = 7.4)
-0.86519545
Log P
1.1286843
Molar Refractivity
58.5367
Polarizability
21.475592
Polar Surface Area
41.05
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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