Molecule

ID:48844

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂O
Molecular Mass
194.70226
Exact Mass
194.11859092
Charge
0
InChI
InChI=1S/C8H18N2O.ClH/c1-5-10(6-2)7(11)8(3,4)9;/h5-6,9H2,1-4H3;1H
InChIKey
NFYMPABEJNUZOV-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(N)(C)C)CC.Cl
Isomeric Smiles
C(=O)(C(N)(C)C)N(CC)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5724733
LogD (pH = 7.4)
-1.0450283
Log P
0.20808
Molar Refractivity
46.3234
Polarizability
18.198185
Polar Surface Area
46.33
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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