Molecule

ID:75822

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁BrN₂
Molecular Mass
203.07964
Exact Mass
202.01056036
Charge
0
InChI
InChI=1S/C7H11BrN2/c1-2-3-4-10-6-7(8)5-9-10/h5-6H,2-4H2,1H3
InChIKey
KUKZNMXVEOCKFE-UHFFFAOYSA-N
Canonic Smiles
CCCCn1cc(cn1)Br
Isomeric Smiles
n1cc(cn1CCCC)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4937341
LogD (pH = 7.4)
2.4937572
Log P
2.4937575
Molar Refractivity
56.4578
Polarizability
17.264244
Polar Surface Area
17.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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