Molecule

ID:48989

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O
Molecular Mass
220.73954
Exact Mass
220.13424098
Charge
0
InChI
InChI=1S/C10H20N2O.ClH/c1-3-12(4-2)10(13)9-5-7-11-8-6-9;/h9,11H,3-8H2,1-2H3;1H
InChIKey
JTRZTWHLRLJRSE-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCNCC1)CC.Cl
Isomeric Smiles
C(=O)(N(CC)CC)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.991715
LogD (pH = 7.4)
-2.4072778
Log P
0.2342576
Molar Refractivity
54.1881
Polarizability
21.152966
Polar Surface Area
32.34
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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