Molecule

ID:69276

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO₂
Molecular Mass
205.68184
Exact Mass
205.08695644
Charge
0
InChI
InChI=1S/C9H15NO2.ClH/c11-8(12)7-9-3-1-5-10(9)6-2-4-9;/h1-7H2,(H,11,12);1H
InChIKey
XEZNJLFXMUJHTN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC12CCCN2CCC1.Cl
Isomeric Smiles
N12CCCC1(CCC2)CC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.7686656
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0371344
LogD (pH = 7.4)
-2.0306728
Log P
-2.0307531
Molar Refractivity
45.4139
Polarizability
17.901073
Polar Surface Area
40.54
Rotatable Bonds
2
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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