Molecule

ID:45783

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O
Molecular Mass
206.71296
Exact Mass
206.11859092
Charge
0
InChI
InChI=1S/C9H18N2O.ClH/c1-7(2)9(12)11-8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKey
SSUKHLFBFXMTQV-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)NC1CCNCC1)C.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)C(C)C.Cl
Calculated Properties
JChem
Acid pKa
16.156984
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1395373
LogD (pH = 7.4)
-2.4552295
Log P
0.080668055
Molar Refractivity
48.7204
Polarizability
19.311396
Polar Surface Area
41.13
Rotatable Bonds
2
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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