Molecule

ID:76176

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇Cl₂NO₂
Molecular Mass
230.13208
Exact Mass
229.06363415
Charge
0
InChI
InChI=1S/C6H15N.C2H2Cl2O2/c1-5(2)7-6(3)4;3-1(4)2(5)6/h5-7H,1-4H3;1H,(H,5,6)
InChIKey
ILKBHIBYKSHTKQ-UHFFFAOYSA-N
Canonic Smiles
ClC(C(=O)O)Cl.CC(NC(C)C)C
Isomeric Smiles
N(C(C)C)C(C)C.OC(=O)C(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8835524
LogD (pH = 7.4)
-1.6228405
Log P
1.3538874
Molar Refractivity
33.0282
Polarizability
13.342089
Polar Surface Area
12.03
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
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Molecule Details
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References
Bioactivity
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