Molecule

ID:10690

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂N
Molecular Mass
176.04318
Exact Mass
174.99555459
Charge
0
InChI
InChI=1S/C7H7Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
InChIKey
VLVLNNQMURDGPM-UHFFFAOYSA-N
Canonic Smiles
NCc1c(Cl)cccc1Cl
Isomeric Smiles
c1(CN)c(cccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5804471
LogD (pH = 7.4)
0.77558076
Log P
2.3071036
Molar Refractivity
44.141
Polarizability
17.444738
Polar Surface Area
26.02
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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