Molecule

ID:21859

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO
Molecular Mass
193.7142
Exact Mass
193.12334195
Charge
0
InChI
InChI=1S/C9H19NO.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h11H,1-9H2;1H
InChIKey
YAVJRHKWCIQYPS-UHFFFAOYSA-N
Canonic Smiles
OCCCCN1CCCCC1.Cl
Isomeric Smiles
N1(CCCCO)CCCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.972566
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4909892
LogD (pH = 7.4)
-1.3289975
Log P
0.927756
Molar Refractivity
47.9324
Polarizability
18.725828
Polar Surface Area
23.47
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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