Molecule

ID:84730

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₂O₂
Molecular Mass
262.69164
Exact Mass
262.05090528
Charge
0
InChI
InChI=1S/C13H11ClN2O2/c14-8-12(17)15-16-13(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKey
XYQTTXGBIIUAIZ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NNC(=O)c1cccc2c1cccc2
Isomeric Smiles
N(C(=O)c1c2c(ccc1)cccc2)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
8.162949
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7604222
LogD (pH = 7.4)
1.7005713
Log P
1.7612573
Molar Refractivity
69.2057
Polarizability
27.375069
Polar Surface Area
58.2
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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