Molecule

ID:46350

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO
Molecular Mass
205.7249
Exact Mass
205.12334195
Charge
0
InChI
InChI=1S/C10H19NO.ClH/c1-2-3-4-7-12-9-10-5-6-11-8-10;/h2,10-11H,1,3-9H2;1H
InChIKey
NUVBFTGZDAOONB-UHFFFAOYSA-N
Canonic Smiles
C=CCCCOCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCCCC=C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9501017
LogD (pH = 7.4)
-1.8434923
Log P
1.2903762
Molar Refractivity
51.8058
Polarizability
20.407072
Polar Surface Area
21.26
Rotatable Bonds
6
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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