Molecule

ID:48734

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂O
Molecular Mass
194.70226
Exact Mass
194.11859092
Charge
0
InChI
InChI=1S/C8H18N2O.ClH/c1-4-5-6-10(3)8(11)7(2)9;/h7H,4-6,9H2,1-3H3;1H
InChIKey
ODIVDSXZYXAPRZ-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)C(N)C)C.Cl
Isomeric Smiles
C(=O)(N(CCCC)C)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2647274
LogD (pH = 7.4)
-0.6352614
Log P
0.38559723
Molar Refractivity
45.9865
Polarizability
18.198185
Polar Surface Area
46.33
Rotatable Bonds
4
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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