Molecule

ID:48665

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrN₂
Molecular Mass
283.20736
Exact Mass
282.07316062
Charge
0
InChI
InChI=1S/C13H19BrN2/c1-2-16(12-6-4-3-5-7-12)13-9-8-11(14)10-15-13/h8-10,12H,2-7H2,1H3
InChIKey
SXNIEIBSIQCADC-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cn1)Br)C1CCCCC1
Isomeric Smiles
c1(ncc(cc1)Br)N(C1CCCCC1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.330318
LogD (pH = 7.4)
4.3822
Log P
4.382906
Molar Refractivity
72.0288
Polarizability
27.292923
Polar Surface Area
16.13
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
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Molecule Details
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References
Bioactivity
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