Molecule

ID:47284

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉Cl₂NO
Molecular Mass
312.23416
Exact Mass
311.08436959
Charge
0
InChI
InChI=1S/C16H18ClNO.ClH/c17-15-7-8-16(14-6-2-1-5-13(14)15)19-11-12-4-3-9-18-10-12;/h1-2,5-8,12,18H,3-4,9-11H2;1H
InChIKey
CYBGCJDNRDDMKZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccc2)OCC1CCCNC1.Cl
Isomeric Smiles
c12c(c(ccc1OCC1CNCCC1)Cl)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.33312446
LogD (pH = 7.4)
0.99071175
Log P
3.5550117
Molar Refractivity
78.6518
Polarizability
32.253647
Polar Surface Area
21.26
Rotatable Bonds
3
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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