Molecule

ID:86014

General Information
Structure
Molecular Formula
C₁₀H₁₁ClN₂O₃
Molecular Mass
242.65894
Exact Mass
242.0458199
Charge
0
InChI
InChI=1S/C10H11ClN2O3/c1-15-8-4-2-3-7(5-8)10(14)16-13-9(12)6-11/h2-5H,6H2,1H3,(H2,12,13)
InChIKey
DZYZIVAPFPOZAR-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N/OC(=O)c1cccc(c1)OC)/N
Isomeric Smiles
N(=C(\N)/CCl)\OC(=O)c1cc(ccc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6129248
LogD (pH = 7.4)
1.6130959
Log P
1.613098
Molar Refractivity
59.4481
Polarizability
22.883902
Polar Surface Area
73.91
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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