Molecule

ID:21133

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO
Molecular Mass
179.68762
Exact Mass
179.10769188
Charge
0
InChI
InChI=1S/C8H17NO.ClH/c1-10-6-4-8-3-2-5-9-7-8;/h8-9H,2-7H2,1H3;1H
InChIKey
LNEPGMBVTQYNPB-UHFFFAOYSA-N
Canonic Smiles
COCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5608454
LogD (pH = 7.4)
-2.1848025
Log P
0.67347705
Molar Refractivity
42.5879
Polarizability
16.955612
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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