Molecule

ID:119868

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO
Molecular Mass
191.69832
Exact Mass
191.10769188
Charge
0
InChI
InChI=1S/C9H17NO.ClH/c11-9-4-2-1-3-8(9)7-10-6-5-9;/h8,10-11H,1-7H2;1H/t8-,9-;/m0./s1
InChIKey
YPFAFIHBCMTKFM-OZZZDHQUSA-N
Canonic Smiles
O[C@@]12CCCC[C@H]2CNCC1.Cl
Isomeric Smiles
[C@@]12([C@H](CNCC1)CCCC2)O.Cl
Calculated Properties
JChem
Acid pKa
14.472853
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8230972
LogD (pH = 7.4)
-2.023895
Log P
0.3884465
Molar Refractivity
44.7951
Polarizability
17.993933
Polar Surface Area
32.26
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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