Molecule

ID:45642

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₃
Molecular Mass
195.64396
Exact Mass
195.06622099
Charge
0
InChI
InChI=1S/C7H13NO3.ClH/c1-10-5-7(9)11-6-2-3-8-4-6;/h6,8H,2-5H2,1H3;1H
InChIKey
JEZVWKCIEDIWDX-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)OC1CNCC1.Cl
Isomeric Smiles
C(=O)(OC1CCNC1)COC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.891193
LogD (pH = 7.4)
-3.259522
Log P
-0.66777474
Molar Refractivity
39.1572
Polarizability
15.927211
Polar Surface Area
47.56
Rotatable Bonds
4
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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