Molecule

ID:90480

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀Cl₂N₂
Molecular Mass
193.0737
Exact Mass
192.02210369
Charge
0
InChI
InChI=1S/C7H9ClN2.ClH/c1-5-2-7(8)10-4-6(5)3-9;/h2,4H,3,9H2,1H3;1H
InChIKey
HTWXRZWFXUXHLE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)ncc1CN.Cl
Isomeric Smiles
n1c(cc(c(c1)CN)C)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7169583
LogD (pH = 7.4)
-0.5010658
Log P
1.2189851
Molar Refractivity
43.2818
Polarizability
16.484518
Polar Surface Area
38.91
Rotatable Bonds
1
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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