Molecule

ID:55058

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O₂
Molecular Mass
194.6592
Exact Mass
194.08220541
Charge
0
InChI
InChI=1S/C7H14N2O2.ClH/c1-6(10)9-2-3-11-7(4-8)5-9;/h7H,2-5,8H2,1H3;1H
InChIKey
WSTCCYVQUUFSNV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CC(CN)OCC1.Cl
Isomeric Smiles
C1COC(CN1C(=O)C)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.454898
LogD (pH = 7.4)
-3.1740062
Log P
-1.5386534
Molar Refractivity
40.9538
Polarizability
16.35
Polar Surface Area
55.56
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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