Molecule

ID:136239

General Information
Structure
Molecular Formula
C₇H₁₁BrN₂
Molecular Mass
203.07964
Exact Mass
202.01056036
Charge
0
InChI
InChI=1S/C7H11BrN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
InChIKey
HDXYNFLYDLDONH-UHFFFAOYSA-N
Canonic Smiles
CC(Cn1ncc(c1)Br)C
Isomeric Smiles
CC(C)Cn1cc(cn1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4141383
LogD (pH = 7.4)
2.4141614
Log P
2.4141617
Molar Refractivity
56.3284
Polarizability
17.264233
Polar Surface Area
17.82
Rotatable Bonds
2
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
References
Bioactivity
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