Molecule

ID:25204

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₃
Molecular Mass
254.66964
Exact Mass
254.0458199
Charge
0
InChI
InChI=1S/C11H10N2O3.ClH/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16;/h1-4H,5-6,12H2;1H
InChIKey
LPLKYGBGRRHCAT-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)CN1C(=O)c2c(C1=O)cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)C(=O)N(C2=O)CC(=O)CN.Cl
Calculated Properties
JChem
Acid pKa
16.49092
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0659688
LogD (pH = 7.4)
-0.49570596
Log P
-0.19942191
Molar Refractivity
57.2069
Polarizability
21.304003
Polar Surface Area
80.47
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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