Molecule

ID:48717

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂O
Molecular Mass
194.70226
Exact Mass
194.11859092
Charge
0
InChI
InChI=1S/C8H18N2O.ClH/c1-3-5-10(6-4-2)8(11)7-9;/h3-7,9H2,1-2H3;1H
InChIKey
GBPWTMZRCAESKB-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)CN)CCC.Cl
Isomeric Smiles
C(=O)(N(CCC)CCC)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2363336
LogD (pH = 7.4)
-0.55225056
Log P
0.25159466
Molar Refractivity
46.1642
Polarizability
18.198185
Polar Surface Area
46.33
Rotatable Bonds
5
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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