Molecule

ID:48732

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O₂
Molecular Mass
194.6592
Exact Mass
194.08220541
Charge
0
InChI
InChI=1S/C7H14N2O2.ClH/c1-6(8)7(10)9-2-4-11-5-3-9;/h6H,2-5,8H2,1H3;1H
InChIKey
YNWMLIPTMXEEGR-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N1CCOCC1)N.Cl
Isomeric Smiles
C(=O)(N1CCOCC1)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.806888
LogD (pH = 7.4)
-2.177295
Log P
-1.1568023
Molar Refractivity
41.1874
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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