Molecule

ID:90103

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂N
Molecular Mass
216.10704
Exact Mass
215.02685472
Charge
0
InChI
InChI=1S/C10H11Cl2N/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-13/h3-5H,1-2,6-7H2
InChIKey
IAZPUGZBGFSCKY-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)cccc1N1CCCC1
Isomeric Smiles
N1(c2c(c(ccc2)Cl)Cl)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6951714
LogD (pH = 7.4)
3.6951764
Log P
3.6951766
Molar Refractivity
57.6372
Polarizability
21.882116
Polar Surface Area
3.24
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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