Molecule

ID:52371

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂N
Molecular Mass
176.04318
Exact Mass
174.99555459
Charge
0
InChI
InChI=1S/C7H7Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
InChIKey
ICIJWOWQUHHETJ-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(Cl)cc(c1)Cl
Isomeric Smiles
NCc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6508825
LogD (pH = 7.4)
0.4726012
Log P
2.3071036
Molar Refractivity
44.141
Polarizability
17.43706
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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