Molecule

ID:81046

General Information
Structure
Molecular Formula
C₁₀H₇Cl₂N
Molecular Mass
212.07528
Exact Mass
210.99555459
Charge
0
InChI
InChI=1S/C10H7Cl2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h1-7H
InChIKey
IEWRGYRCGQVEMJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)n1cccc1
Isomeric Smiles
n1(c2cc(cc(c2)Cl)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
22.039194
Polar Surface Area
4.93
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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