Molecule

ID:45640

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₃
Molecular Mass
237.7237
Exact Mass
237.11317119
Charge
0
InChI
InChI=1S/C10H19NO3.ClH/c1-13-8-10(12)14-7-5-9-4-2-3-6-11-9;/h9,11H,2-8H2,1H3;1H
InChIKey
ZPDVDVQAQBMZSV-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)OCCC1CCCCN1.Cl
Isomeric Smiles
C(=O)(OCCC1NCCCC1)COC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8774283
LogD (pH = 7.4)
-2.4199388
Log P
0.35411632
Molar Refractivity
53.2682
Polarizability
21.421143
Polar Surface Area
47.56
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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