Molecule

ID:86765

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀Cl₂N₂
Molecular Mass
193.0737
Exact Mass
192.02210369
Charge
0
InChI
InChI=1S/C7H9ClN2.ClH/c1-5-3-2-4-6(8)7(5)10-9;/h2-4,10H,9H2,1H3;1H
InChIKey
NKOMRBQXOMJFAH-UHFFFAOYSA-N
Canonic Smiles
NNc1c(C)cccc1Cl.Cl
Isomeric Smiles
N(c1c(cccc1Cl)C)N.Cl
Calculated Properties
JChem
Acid pKa
18.382597
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3382342
LogD (pH = 7.4)
2.4802074
Log P
2.4823544
Molar Refractivity
45.6107
Polarizability
16.523954
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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