Molecule

ID:20740

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO
Molecular Mass
219.75148
Exact Mass
219.13899201
Charge
0
InChI
InChI=1S/C11H21NO.ClH/c1-10(2)5-8-13-9-11-3-6-12-7-4-11;/h5,11-12H,3-4,6-9H2,1-2H3;1H
InChIKey
SGCGECJGVCWUDW-UHFFFAOYSA-N
Canonic Smiles
CC(=CCOCC1CCNCC1)C.Cl
Isomeric Smiles
N1CCC(COCC=C(C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6412671
LogD (pH = 7.4)
-1.1805124
Log P
1.5901544
Molar Refractivity
57.1051
Polarizability
22.25255
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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