Molecule

ID:78554

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀Cl₂N₂
Molecular Mass
193.0737
Exact Mass
192.02210369
Charge
0
InChI
InChI=1S/C7H9ClN2.ClH/c1-5-2-3-6(10-9)4-7(5)8;/h2-4,10H,9H2,1H3;1H
InChIKey
DQDFVQJOXLGGBL-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(c(c1)Cl)C.Cl
Isomeric Smiles
N(c1cc(c(cc1)C)Cl)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2854605
LogD (pH = 7.4)
2.4792285
Log P
2.4823544
Molar Refractivity
45.6107
Polarizability
16.517385
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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