Molecule

ID:48746

General Information
Structure
Molecular Formula
C₁₀H₂₁ClN₂O
Molecular Mass
220.73954
Exact Mass
220.13424098
Charge
0
InChI
InChI=1S/C10H20N2O.ClH/c1-8(11)10(13)12(2)9-6-4-3-5-7-9;/h8-9H,3-7,11H2,1-2H3;1H
InChIKey
ATUBIMZSOLAGFG-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N(C1CCCCC1)C)N.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)C)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7891672
LogD (pH = 7.4)
-0.15960065
Log P
0.8609687
Molar Refractivity
53.1271
Polarizability
21.152966
Polar Surface Area
46.33
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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