Molecule

ID:130680

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂N₂O
Molecular Mass
305.1587
Exact Mass
304.01701831
Charge
0
InChI
InChI=1S/C15H10Cl2N2O/c16-10-3-1-9(2-4-10)15-12-7-11(17)5-6-13(12)19-14(20)8-18-15/h1-7H,8H2,(H,19,20)
InChIKey
XKAHDJVCUSNHTE-UHFFFAOYSA-N
Canonic Smiles
O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccc(cc1)Cl
Isomeric Smiles
c1cc(ccc1C1=NCC(=O)Nc2c1cc(cc2)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.299827
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8157485
LogD (pH = 7.4)
3.816056
Log P
3.816065
Molar Refractivity
81.5008
Polarizability
30.367355
Polar Surface Area
41.46
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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