Molecule

ID:10917

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₄
Molecular Mass
272.68492
Exact Mass
272.05638459
Charge
0
InChI
InChI=1S/C11H12N2O4.ClH/c14-8-4-7(5-12-6-8)10(15)13-3-1-2-9(13)11(16)17;/h4-6,9,14H,1-3H2,(H,16,17);1H
InChIKey
BYDWEJZQHAZRON-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN1C(=O)c1cncc(c1)O.Cl
Isomeric Smiles
N1(C(=O)c2cc(cnc2)O)C(C(=O)O)CCC1.Cl
Calculated Properties
JChem
Acid pKa
2.5394938
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.3774567
LogD (pH = 7.4)
-3.682275
Log P
-1.0970827
Molar Refractivity
58.1247
Polarizability
21.994596
Polar Surface Area
90.73
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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