Molecule

ID:70697

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO
Molecular Mass
149.61858
Exact Mass
149.06074169
Charge
0
InChI
InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2
InChIKey
ZAPMTSHEXFEPSD-UHFFFAOYSA-N
Canonic Smiles
ClCCN1CCOCC1
Isomeric Smiles
N1(CCOCC1)CCCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.134164
LogD (pH = 7.4)
0.61016077
Log P
0.6361589
Molar Refractivity
38.4059
Polarizability
15.11678
Polar Surface Area
12.47
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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