Molecule

ID:48857

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O
Molecular Mass
220.73954
Exact Mass
220.13424098
Charge
0
InChI
InChI=1S/C10H20N2O.ClH/c1-10(2,11)9(13)12-7-5-3-4-6-8-12;/h3-8,11H2,1-2H3;1H
InChIKey
YCGPUWVHNZCSHG-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)(C)C)N1CCCCCC1.Cl
Isomeric Smiles
C(=O)(N1CCCCCC1)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9911498
LogD (pH = 7.4)
-0.4636998
Log P
0.7893989
Molar Refractivity
53.5692
Polarizability
21.152966
Polar Surface Area
46.33
Rotatable Bonds
1
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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