Molecule

ID:3883

General Information
Structure
Molecular Formula
C₁₀H₁₁Cl₂N
Molecular Mass
216.10704
Exact Mass
215.02685472
Charge
0
InChI
InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2
InChIKey
IADAQXMUWITWNG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1Cl)CNCCC2
Isomeric Smiles
C1NCCCc2ccc(c(c12)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.23833548
LogD (pH = 7.4)
1.7789029
Log P
3.2241411
Molar Refractivity
56.8262
Polarizability
22.176662
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.02
LOG S
-3.62
Solubility (Water)
5.15e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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