Molecule

ID:69746

General Information
Structure
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Molecular Formula
C₆H₈Cl₂N₂
Molecular Mass
179.04712
Exact Mass
178.00645363
Charge
0
InChI
InChI=1S/C6H7ClN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
InChIKey
CRRIAWUJYMLJOE-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1)Cl.Cl
Isomeric Smiles
Cl.N(N)c1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7860496
LogD (pH = 7.4)
1.9660784
Log P
1.9689331
Molar Refractivity
40.5695
Polarizability
14.755913
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
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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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