Molecule
ID:79883
General Information
Molecular Formula
C₁₃H₁₀Cl₄O₄
Molecular Mass
372.0281
Exact Mass
369.93331952
Charge
0
InChI
InChI=1S/C13H10Cl4O4/c1-20-13(21-2)11(16)7-5(18)3-4-6(19)8(7)12(13,17)10(15)9(11)14/h3-4,7-8H,1-2H3
InChIKey
DCGCFQBJRLWZID-UHFFFAOYSA-N
Canonic Smiles
COC1(OC)C2(Cl)C(=C(C1(Cl)C1C2C(=O)C=CC1=O)Cl)Cl
Isomeric Smiles
ClC12C(C(C3C1C(=O)C=CC3=O)(Cl)C(=C2Cl)Cl)(OC)OC
Calculated Properties
JChem
Acid pKa
9.924608
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9911406
LogD (pH = 7.4)
2.9898713
Log P
2.9911568
Molar Refractivity
80.624
Polarizability
31.250376
Polar Surface Area
52.6
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
No Data Available
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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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