Molecule
ID:56191
General Information
Molecular Formula
C₁₆H₁₀ClNO₄
Molecular Mass
315.7079
Exact Mass
315.02983549
Charge
0
InChI
InChI=1S/C16H10ClNO4/c1-8-12(17)3-2-4-13(8)18-14(19)10-6-5-9(16(21)22)7-11(10)15(18)20/h2-7H,1H3,(H,21,22)
InChIKey
RJJRNATZGJWABU-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cc(ccc2C(=O)N1c1cccc(c1C)Cl)C(=O)O
Isomeric Smiles
c1c(ccc2c1C(=O)N(C2=O)c1cccc(c1C)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.49046
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3492581
LogD (pH = 7.4)
-0.028107263
Log P
3.3501065
Molar Refractivity
81.0913
Polarizability
30.127544
Polar Surface Area
74.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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