Molecule

ID:75291

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂N₂
Molecular Mass
215.07922
Exact Mass
214.00645363
Charge
0
InChI
InChI=1S/C9H8Cl2N2/c1-2-13-5-12-8-3-6(10)7(11)4-9(8)13/h3-5H,2H2,1H3
InChIKey
GYVLFYQMEWXHQF-UHFFFAOYSA-N
Canonic Smiles
CCn1cnc2c1cc(Cl)c(c2)Cl
Isomeric Smiles
n1(cnc2cc(c(cc12)Cl)Cl)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.795841
LogD (pH = 7.4)
3.0433245
Log P
3.0480773
Molar Refractivity
54.2234
Polarizability
22.01427
Polar Surface Area
17.82
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
No Data Available
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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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