Molecule

ID:55731

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClN₂O₃
Molecular Mass
208.64272
Exact Mass
208.06146997
Charge
0
InChI
InChI=1S/C7H12N2O3.ClH/c1-12-7(11)5-9-3-2-8-4-6(9)10;/h8H,2-5H2,1H3;1H
InChIKey
GFZKZOXUHOCLBI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1CCNCC1=O.Cl
Isomeric Smiles
C1N(C(=O)CNC1)CC(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1765342
LogD (pH = 7.4)
-1.7827417
Log P
-1.6221333
Molar Refractivity
41.2783
Polarizability
16.48347
Polar Surface Area
58.64
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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