Molecule

ID:87696

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀Cl₂N₂O
Molecular Mass
209.0731
Exact Mass
208.01701831
Charge
0
InChI
InChI=1S/C7H9ClN2O.ClH/c1-11-7-3-2-5(8)4-6(7)10-9;/h2-4,10H,9H2,1H3;1H
InChIKey
GOMLDPWKBMXMEX-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(Cl)ccc1OC.Cl
Isomeric Smiles
Cl.N(c1c(ccc(c1)Cl)OC)N
Calculated Properties
JChem
Acid pKa
17.640862
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7444936
LogD (pH = 7.4)
1.8103541
Log P
1.8112619
Molar Refractivity
47.0327
Polarizability
17.288647
Polar Surface Area
47.28
Rotatable Bonds
2
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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