Molecule

ID:119296

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Br₂N
Molecular Mass
313.07256
Exact Mass
310.98842361
Charge
0
InChI
InChI=1S/C10H18BrN.BrH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;/h9-10H,1-8H2;1H/t9-,10+;/m0./s1
InChIKey
CENCXUVVMYXOLG-BAUSSPIASA-N
Canonic Smiles
BrC[C@@H]1CCCN2[C@@H]1CCCC2.Br
Isomeric Smiles
N12[C@@H]([C@H](CBr)CCC1)CCCC2.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.9267449
LogD (pH = 7.4)
0.35151258
Log P
2.4606068
Molar Refractivity
56.2783
Polarizability
21.854097
Polar Surface Area
3.24
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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