Molecule

ID:20739

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO
Molecular Mass
189.68244
Exact Mass
189.09204182
Charge
0
InChI
InChI=1S/C9H15NO.ClH/c1-2-7-11-8-9-3-5-10-6-4-9;/h1,9-10H,3-8H2;1H
InChIKey
WPNLIHIBEOPEGT-UHFFFAOYSA-N
Canonic Smiles
C#CCOCC1CCNCC1.Cl
Isomeric Smiles
C(#C)COCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.77443
LogD (pH = 7.4)
-2.3136752
Log P
0.45699143
Molar Refractivity
45.5671
Polarizability
17.69904
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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