Molecule

ID:20826

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)5-7-12-10-4-3-6-11-8-10;/h5,10-11H,3-4,6-8H2,1-2H3;1H
InChIKey
RVQIOVCFSWLQNM-UHFFFAOYSA-N
Canonic Smiles
CC(=CCOC1CCCNC1)C.Cl
Isomeric Smiles
N1CC(OCC=C(C)C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6034112
LogD (pH = 7.4)
-0.6146347
Log P
1.5869566
Molar Refractivity
52.0663
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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