Molecule

ID:36540

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClN₂O₃
Molecular Mass
290.70174
Exact Mass
290.0458199
Charge
0
InChI
InChI=1S/C14H11ClN2O3/c1-19-9-2-3-12-10(5-9)8(7-16-12)4-11-13(6-15)17-20-14(11)18/h2-5,7,16H,6H2,1H3/b11-4+
InChIKey
JFSVLRXWAOOMRK-NYYWCZLTSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1c[nH]c2c1cc(OC)cc2
Isomeric Smiles
C\1(=C\c2c3c([nH]c2)ccc(c3)OC)/C(=O)ON=C1CCl
Calculated Properties
JChem
Acid pKa
16.131075
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1404376
LogD (pH = 7.4)
3.1404412
Log P
3.1404412
Molar Refractivity
75.3177
Polarizability
29.67657
Polar Surface Area
63.68
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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