Molecule

ID:55834

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₃
Molecular Mass
195.64396
Exact Mass
195.06622099
Charge
0
InChI
InChI=1S/C7H13NO3.ClH/c9-7(10)5-11-6-1-3-8-4-2-6;/h6,8H,1-5H2,(H,9,10);1H
InChIKey
CKZMPJRVAMCLER-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COC1CCNCC1.Cl
Isomeric Smiles
C1NCCC(C1)OCC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.852315
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.2331352
LogD (pH = 7.4)
-3.2261539
Log P
-3.2257428
Molar Refractivity
39.2535
Polarizability
15.687127
Polar Surface Area
58.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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