Molecule

ID:20924

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO
Molecular Mass
205.7249
Exact Mass
205.12334195
Charge
0
InChI
InChI=1S/C10H19NO.ClH/c1-9(2)5-8-12-10-3-6-11-7-4-10;/h5,10-11H,3-4,6-8H2,1-2H3;1H
InChIKey
KIBCXPPXETZWLZ-UHFFFAOYSA-N
Canonic Smiles
CC(=CCOC1CCNCC1)C.Cl
Isomeric Smiles
N1CCC(CC1)OCC=C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0903802
LogD (pH = 7.4)
-1.4019574
Log P
1.1295537
Molar Refractivity
52.2871
Polarizability
20.407072
Polar Surface Area
21.26
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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