Molecule

ID:20741

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO
Molecular Mass
191.69832
Exact Mass
191.10769188
Charge
0
InChI
InChI=1S/C9H17NO.ClH/c1-2-7-11-8-9-3-5-10-6-4-9;/h2,9-10H,1,3-8H2;1H
InChIKey
LZMBNQAMBZIXIT-UHFFFAOYSA-N
Canonic Smiles
C=CCOCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COCC=C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2712634
LogD (pH = 7.4)
-1.8105086
Log P
0.96015817
Molar Refractivity
47.1496
Polarizability
18.561886
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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