Molecule

ID:21794

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇Cl₂N
Molecular Mass
282.20818
Exact Mass
281.07380491
Charge
0
InChI
InChI=1S/C15H16ClN.ClH/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16;/h2-10,12,17H,11H2,1H3;1H
InChIKey
XEAZSCRONGBNTK-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NCc1ccccc1Cl.Cl
Isomeric Smiles
c1(CNC(c2ccccc2)C)c(Cl)cccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5265884
LogD (pH = 7.4)
3.2213027
Log P
4.2766876
Molar Refractivity
73.1422
Polarizability
28.866526
Polar Surface Area
12.03
Rotatable Bonds
4
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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