Molecule

ID:90590

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀Cl₂N₂
Molecular Mass
193.0737
Exact Mass
192.02210369
Charge
0
InChI
InChI=1S/C7H9ClN2.ClH/c1-5-2-6(3-9)4-10-7(5)8;/h2,4H,3,9H2,1H3;1H
InChIKey
WQUFVSQNLCVMJV-UHFFFAOYSA-N
Canonic Smiles
NCc1cnc(c(c1)C)Cl.Cl
Isomeric Smiles
n1cc(cc(c1Cl)C)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7248768
LogD (pH = 7.4)
-0.53933376
Log P
1.2189851
Molar Refractivity
43.2818
Polarizability
16.48498
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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