Molecule

ID:9386

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂N
Molecular Mass
212.07528
Exact Mass
210.99555459
Charge
0
InChI
InChI=1S/C10H7Cl2N/c1-6-2-3-7-4-8(11)9(12)5-10(7)13-6/h2-5H,1H3
InChIKey
XYNNEGCJICWPFL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)cc(c(c2)Cl)Cl
Isomeric Smiles
c1(c(cc2c(c1)ccc(n2)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4656682
LogD (pH = 7.4)
3.4703007
Log P
3.47036
Molar Refractivity
54.1804
Polarizability
22.460732
Polar Surface Area
12.89
Rotatable Bonds
0
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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