Molecule

ID:63033

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Br₂N₃
Molecular Mass
337.0542
Exact Mass
334.9632715
Charge
0
InChI
InChI=1S/C10H14BrN3.BrH/c1-14-4-2-3-8(7-14)9-5-13-10(11)6-12-9;/h5-6,8H,2-4,7H2,1H3;1H
InChIKey
BFVDMNAQMCJSCS-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)c1cnc(cn1)Br.Br
Isomeric Smiles
n1c(C2CN(CCC2)C)cnc(c1)Br.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.3580127
LogD (pH = 7.4)
0.41610786
Log P
1.286079
Molar Refractivity
60.373
Polarizability
23.149965
Polar Surface Area
29.02
Rotatable Bonds
1
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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