Molecule

ID:43438

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO₂
Molecular Mass
193.67114
Exact Mass
193.08695644
Charge
0
InChI
InChI=1S/C8H15NO2.ClH/c1-11-7(10)8(6-9)4-2-3-5-8;/h2-6,9H2,1H3;1H
InChIKey
WJWHVYVMIGZOQV-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCC1)C(=O)OC.Cl
Isomeric Smiles
C1CCC(C1)(CN)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2088637
LogD (pH = 7.4)
-1.1412351
Log P
0.75984323
Molar Refractivity
41.9472
Polarizability
17.03371
Polar Surface Area
52.32
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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