Molecule

ID:126520

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅Cl₂N
Molecular Mass
268.1816
Exact Mass
267.05815485
Charge
0
InChI
InChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2
InChIKey
XCDXSSFOJZZGQC-UHFFFAOYSA-N
Canonic Smiles
ClCCN(c1ccc2c(c1)cccc2)CCCl
Isomeric Smiles
ClCCN(c1ccc2c(cccc2)c1)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.399648
LogD (pH = 7.4)
4.399745
Log P
4.399746
Molar Refractivity
75.6234
Polarizability
29.96598
Polar Surface Area
3.24
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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