Molecule

ID:48634

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrN₂
Molecular Mass
283.20736
Exact Mass
282.07316062
Charge
0
InChI
InChI=1S/C13H19BrN2/c1-3-12-6-4-5-7-16(12)13-10(2)8-11(14)9-15-13/h8-9,12H,3-7H2,1-2H3
InChIKey
VPSFXKAONTZEKE-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ncc(cc1C)Br
Isomeric Smiles
c1(N2C(CC)CCCC2)ncc(cc1C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3937187
LogD (pH = 7.4)
4.527682
Log P
4.529712
Molar Refractivity
72.392
Polarizability
27.220217
Polar Surface Area
16.13
Rotatable Bonds
2
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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