Molecule

ID:126242

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀Br₂N₂
Molecular Mass
376.13
Exact Mass
373.99932265
Charge
0
InChI
InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3
InChIKey
OJGDCBLYJGHCIH-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(CN(C2CCCCC2)C)c(c(c1)Br)N
Isomeric Smiles
Brc1cc(c(N)c(Br)c1)CN(C)C1CCCCC1
Calculated Properties
JChem
Acid pKa
19.887215
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0916153
LogD (pH = 7.4)
2.5093527
Log P
4.4224925
Molar Refractivity
85.5609
Polarizability
32.566666
Polar Surface Area
29.26
Rotatable Bonds
3
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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