Molecule

ID:55573

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO
Molecular Mass
189.68244
Exact Mass
189.09204182
Charge
0
InChI
InChI=1S/C9H15NO.ClH/c1-7(2)10-6-9-5-4-8(3)11-9;/h4-5,7,10H,6H2,1-3H3;1H
InChIKey
BHHWPGHSOGFGDR-UHFFFAOYSA-N
Canonic Smiles
CC(NCc1ccc(o1)C)C.Cl
Isomeric Smiles
o1c(ccc1C)CNC(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2954375
LogD (pH = 7.4)
0.3490509
Log P
1.5647856
Molar Refractivity
46.014
Polarizability
17.847626
Polar Surface Area
25.17
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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