Molecule

ID:84362

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄Cl₂N₂O₃
Molecular Mass
353.19996
Exact Mass
352.03814768
Charge
0
InChI
InChI=1S/C16H14Cl2N2O3/c17-9-15(21)23-20-16(19)12-3-7-14(8-4-12)22-10-11-1-5-13(18)6-2-11/h1-8H,9-10H2,(H2,19,20)
InChIKey
KKFQRONWNQDGHH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)O/N=C(/c1ccc(cc1)OCc1ccc(cc1)Cl)\N
Isomeric Smiles
N(=C(\c1ccc(cc1)OCc1ccc(cc1)Cl)/N)/OC(=O)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.7197025
LogD (pH = 7.4)
3.741333
Log P
3.7416158
Molar Refractivity
88.8655
Polarizability
34.32408
Polar Surface Area
73.91
Rotatable Bonds
7
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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