Molecule

ID:58200

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁BrN₂
Molecular Mass
203.07964
Exact Mass
202.01056036
Charge
0
InChI
InChI=1S/C7H11BrN2/c1-5(2)10-4-7(8)6(3)9-10/h4-5H,1-3H3
InChIKey
NEZRKPLGDMBWDL-UHFFFAOYSA-N
Canonic Smiles
Brc1cn(nc1C)C(C)C
Isomeric Smiles
n1(cc(c(n1)C)Br)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0743809
LogD (pH = 7.4)
2.0746088
Log P
2.0746117
Molar Refractivity
56.3431
Polarizability
17.19224
Polar Surface Area
17.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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