Molecule

ID:47426

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO
Molecular Mass
205.7249
Exact Mass
205.12334195
Charge
0
InChI
InChI=1S/C10H19NO.ClH/c1-2-9(3-1)8-12-10-4-6-11-7-5-10;/h9-11H,1-8H2;1H
InChIKey
RFKBLTFWKMGPGU-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)OCC1CCC1.Cl
Isomeric Smiles
N1CCC(OCC2CCC2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2264814
LogD (pH = 7.4)
-1.5380753
Log P
0.99345356
Molar Refractivity
49.7119
Polarizability
19.910645
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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