Molecule

ID:60620

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO
Molecular Mass
191.69832
Exact Mass
191.10769188
Charge
0
InChI
InChI=1S/C9H18ClNO/c1-3-5-7-11(9(10)12)8-6-4-2/h3-8H2,1-2H3
InChIKey
OSWBZCCZJXCOGL-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)Cl)CCCC
Isomeric Smiles
N(C(=O)Cl)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0715885
LogD (pH = 7.4)
3.0715885
Log P
3.0715885
Molar Refractivity
52.7195
Polarizability
20.382841
Polar Surface Area
20.31
Rotatable Bonds
6
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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