Molecule

ID:85447

General Information
Structure
Molecular Formula
C₁₄H₁₀Cl₂N₂O₂
Molecular Mass
309.1474
Exact Mass
308.01193293
Charge
0
InChI
InChI=1S/C14H10Cl2N2O2/c15-11-5-10(14(20)12(16)6-11)8-18-17-7-9-3-1-2-4-13(9)19/h1-8,19-20H
InChIKey
UZPXSDYIXBDMTO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(/C=N/N=C/c2ccccc2O)c(c(c1)Cl)O
Isomeric Smiles
N(=C\c1c(c(cc(c1)Cl)Cl)O)/N=C/c1ccccc1O
Calculated Properties
JChem
Acid pKa
6.658708
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
4.012305
LogD (pH = 7.4)
3.2273905
Log P
4.041217
Molar Refractivity
81.3696
Polarizability
30.044962
Polar Surface Area
65.18
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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