Molecule

ID:78754

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂N₂O
Molecular Mass
305.1587
Exact Mass
304.01701831
Charge
0
InChI
InChI=1S/C15H10Cl2N2O/c16-13-5-12(15(20)14(17)6-13)9-19-8-11-3-1-10(7-18)2-4-11/h1-6,9,20H,8H2
InChIKey
JYSLDSAHXUFBBD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)C/N=C/c1cc(Cl)cc(c1O)Cl
Isomeric Smiles
N#Cc1ccc(cc1)C/N=C/c1c(c(cc(c1)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
6.8706026
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.3759503
LogD (pH = 7.4)
3.7751122
Log P
4.407179
Molar Refractivity
81.5205
Polarizability
30.521233
Polar Surface Area
56.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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