Molecule

ID:75144

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅Cl₃N₂O₂
Molecular Mass
289.5866
Exact Mass
288.01991077
Charge
0
InChI
InChI=1S/C9H15Cl3N2O2/c10-9(11,12)6-16-8(15)14-3-1-7(5-13)2-4-14/h7H,1-6,13H2
InChIKey
DBJJDXIDXIEGLK-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)C(=O)OCC(Cl)(Cl)Cl
Isomeric Smiles
N1(C(=O)OCC(Cl)(Cl)Cl)CCC(CN)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7322758
LogD (pH = 7.4)
-1.119787
Log P
1.2832896
Molar Refractivity
66.0372
Polarizability
25.73283
Polar Surface Area
55.56
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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