Molecule

ID:121

General Information
Structure
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Molecular Formula
C₁₀H₁₆Br₂N₂O₂
Molecular Mass
356.05424
Exact Mass
353.95785176
Charge
0
InChI
InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2
InChIKey
NJBFOOCLYDNZJN-UHFFFAOYSA-N
Canonic Smiles
BrCCC(=O)N1CCN(CC1)C(=O)CCBr
Isomeric Smiles
BrCCC(=O)N1CCN(CC1)C(=O)CCBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.4107811
LogD (pH = 7.4)
0.41078132
Log P
0.41078132
Molar Refractivity
69.4528
Polarizability
26.676641
Polar Surface Area
40.62
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.09
LOG S
-2.2
Solubility (Water)
2.24e+00 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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