Molecule

ID:20663

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)7-12-8-10-4-3-5-11-6-10;/h10-11H,1,3-8H2,2H3;1H
InChIKey
GROSHPVEBKVJBG-UHFFFAOYSA-N
Canonic Smiles
CC(=C)COCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COCC(=C)C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9841557
LogD (pH = 7.4)
-1.4692076
Log P
1.2450762
Molar Refractivity
51.3328
Polarizability
20.407072
Polar Surface Area
21.26
Rotatable Bonds
4
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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