Molecule

ID:67800

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNO₂
Molecular Mass
191.65526
Exact Mass
191.07130637
Charge
0
InChI
InChI=1S/C8H13NO2.ClH/c10-7-1-2-8(11-7)3-5-9-6-4-8;/h9H,1-6H2;1H
InChIKey
ULPFGPYNQZRJOX-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC2(O1)CCNCC2.Cl
Isomeric Smiles
O1C(=O)CCC21CCNCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5020916
LogD (pH = 7.4)
-2.8022172
Log P
-0.2829218
Molar Refractivity
40.3541
Polarizability
16.31348
Polar Surface Area
38.33
Rotatable Bonds
0
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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