Molecule

ID:102486

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁ClN₂O₃
Molecular Mass
182.60544
Exact Mass
182.0458199
Charge
0
InChI
InChI=1S/C5H10N2O3.ClH/c1-10-5(9)3-7-4(8)2-6;/h2-3,6H2,1H3,(H,7,8);1H
InChIKey
RZOAGVGJBLVHIZ-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NCC(=O)OC.Cl
Isomeric Smiles
Cl.COC(=O)CNC(=O)CN
Calculated Properties
JChem
Acid pKa
12.353836
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.5995646
LogD (pH = 7.4)
-2.9163735
Log P
-2.1068647
Molar Refractivity
33.576
Polarizability
13.550001
Polar Surface Area
81.42
Rotatable Bonds
4
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
References
Bioactivity
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