Molecule

ID:133423

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉ClN₂O₃
Molecular Mass
250.72246
Exact Mass
250.10842016
Charge
0
InChI
InChI=1S/C10H18N2O3.ClH/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;/h6-8H,3-5,11H2,1-2H3,(H,14,15);1H
InChIKey
IIQAHNBGJJXSGP-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(=O)N1CCCC1C(=O)O)N)C.Cl
Isomeric Smiles
CC(C)C(C(=O)N1CCCC1C(=O)O)N.Cl
Calculated Properties
JChem
Acid pKa
3.8554103
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.2243607
LogD (pH = 7.4)
-2.2468233
Log P
-2.2197342
Molar Refractivity
54.4794
Polarizability
21.71929
Polar Surface Area
83.63
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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