Molecule

ID:60555

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO
Molecular Mass
203.70902
Exact Mass
203.10769188
Charge
0
InChI
InChI=1S/C10H18ClNO/c11-8-7-10(13)12-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,12,13)
InChIKey
LEIHDNGIJLYRBH-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)NC1CCCCCC1
Isomeric Smiles
C(=O)(NC1CCCCCC1)CCCl
Calculated Properties
JChem
Acid pKa
14.441254
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2115834
LogD (pH = 7.4)
2.2115834
Log P
2.2115834
Molar Refractivity
54.4304
Polarizability
21.459404
Polar Surface Area
29.1
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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