Molecule

ID:47114

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂ClNO
Molecular Mass
207.74078
Exact Mass
207.13899201
Charge
0
InChI
InChI=1S/C10H21NO.ClH/c1-2-3-4-9-12-10-5-7-11-8-6-10;/h10-11H,2-9H2,1H3;1H
InChIKey
MPJXZNFFNBELLT-UHFFFAOYSA-N
Canonic Smiles
CCCCCOC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CC1)OCCCCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6831597
LogD (pH = 7.4)
-0.9947537
Log P
1.5367754
Molar Refractivity
51.6435
Polarizability
20.644295
Polar Surface Area
21.26
Rotatable Bonds
5
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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