Molecule

ID:90481

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(8)4-10-7(5)3-9;/h2,4H,3,9H2,1H3;1H
InChIKey
KCHDELNMWQMQBU-UHFFFAOYSA-N
Canonic Smiles
NCc1ncc(cc1C)Cl.Cl
Isomeric Smiles
n1c(c(cc(c1)Cl)C)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6402932
LogD (pH = 7.4)
-0.056610983
Log P
1.0802798
Molar Refractivity
41.6983
Polarizability
16.44004
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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