Molecule

ID:105927

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₂N₂O
Molecular Mass
233.0945
Exact Mass
232.01701831
Charge
0
InChI
InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKey
XMTQQYYKAHVGBJ-UHFFFAOYSA-N
Canonic Smiles
O/C(=N\c1ccc(c(c1)Cl)Cl)/N(C)C
Isomeric Smiles
CN(C)/C(=N/c1cc(Cl)c(Cl)cc1)/O
Calculated Properties
JChem
Acid pKa
7.923031
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0619526
LogD (pH = 7.4)
2.8955972
Log P
2.8815563
Molar Refractivity
60.1538
Polarizability
22.144636
Polar Surface Area
35.83
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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