Molecule

ID:51870

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c1-10(2,3)13-9(12)8-4-6-11-7-5-8;/h8,11H,4-7H2,1-3H3;1H
InChIKey
VLFRGIAACOBTLR-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCNCC1)OC(C)(C)C.Cl
Isomeric Smiles
C(=O)(OC(C)(C)C)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.112731
LogD (pH = 7.4)
-1.1416544
Log P
1.0800859
Molar Refractivity
51.65
Polarizability
20.710838
Polar Surface Area
38.33
Rotatable Bonds
3
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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