Molecule

ID:75603

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉BrN₂
Molecular Mass
271.19666
Exact Mass
270.07316062
Charge
0
InChI
InChI=1S/C12H19BrN2/c1-10(2)6-4-3-5-7-12-11(13)8-14-9-15-12/h8-10H,3-7H2,1-2H3
InChIKey
JUDRIUUSDXZSPY-UHFFFAOYSA-N
Canonic Smiles
CC(CCCCCc1ncncc1Br)C
Isomeric Smiles
n1cncc(c1CCCCCC(C)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1602077
LogD (pH = 7.4)
4.160256
Log P
4.1602564
Molar Refractivity
67.1171
Polarizability
25.929514
Polar Surface Area
25.78
Rotatable Bonds
6
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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