Molecule

ID:86883

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN₃O₂
Molecular Mass
251.669
Exact Mass
251.04615426
Charge
0
InChI
InChI=1S/C11H10ClN3O2/c1-6-7(2)15-17-11(6)14-10(16)8-3-4-13-9(12)5-8/h3-5H,1-2H3,(H,14,16)
InChIKey
UHDSLNYUXORWIT-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)C(=O)Nc1onc(c1C)C
Isomeric Smiles
N(c1c(c(no1)C)C)C(=O)c1cc(ncc1)Cl
Calculated Properties
JChem
Acid pKa
8.721435
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7700522
LogD (pH = 7.4)
1.7510996
Log P
1.770308
Molar Refractivity
65.6287
Polarizability
23.585157
Polar Surface Area
68.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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