Molecule

ID:57009

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀ClNO₃
Molecular Mass
299.7085
Exact Mass
299.03492087
Charge
0
InChI
InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21)
InChIKey
KVFZPSDQSZKXFB-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1c1cc(C(=O)O)c2c(n1)c(Cl)ccc2
Isomeric Smiles
c1cc(c2c(c1)c(cc(n2)c1ccccc1O)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.5607839
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.1883996
LogD (pH = 7.4)
0.73386896
Log P
4.1220384
Molar Refractivity
78.7854
Polarizability
32.72034
Polar Surface Area
70.42
Rotatable Bonds
2
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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