Molecule
ID:81001
General Information
Molecular Formula
C₁₀H₇Cl₂N
Molecular Mass
212.07528
Exact Mass
210.99555459
Charge
0
InChI
InChI=1S/C10H7Cl2N/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-13/h1-7H
InChIKey
QUCIYMWLPKXEQF-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1Cl)n1cccc1
Isomeric Smiles
n1(c2cccc(c2Cl)Cl)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5978
LogD (pH = 7.4)
3.5978
Log P
3.5978
Molar Refractivity
65.42
Polarizability
22.076153
Polar Surface Area
4.93
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
No Data Available
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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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