Molecule

ID:64899

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClN₂O₃
Molecular Mass
236.69588
Exact Mass
236.09277009
Charge
0
InChI
InChI=1S/C9H16N2O3.ClH/c1-2-14-8(12)6-11-5-3-4-7(10)9(11)13;/h7H,2-6,10H2,1H3;1H/t7-;/m0./s1
InChIKey
XCVQPCSIODNZTO-FJXQXJEOSA-N
Canonic Smiles
CCOC(=O)CN1CCC[C@@H](C1=O)N.Cl
Isomeric Smiles
[C@@H]1(CCCN(C1=O)CC(=O)OCC)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5871181
LogD (pH = 7.4)
-1.9739069
Log P
-0.908627
Molar Refractivity
50.5076
Polarizability
20.132935
Polar Surface Area
72.63
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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