Molecule

ID:47073

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈Cl₂N₂O
Molecular Mass
313.22222
Exact Mass
312.07961857
Charge
0
InChI
InChI=1S/C15H17ClN2O.ClH/c16-13-5-6-14(15-12(13)4-2-8-18-15)19-10-11-3-1-7-17-9-11;/h2,4-6,8,11,17H,1,3,7,9-10H2;1H
InChIKey
KEWANYLYPIJGAV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccn2)OCC1CCCNC1.Cl
Isomeric Smiles
c12c(c(OCC3CNCCC3)ccc1Cl)nccc2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.49884602
LogD (pH = 7.4)
0.15888813
Log P
2.7231896
Molar Refractivity
76.1229
Polarizability
31.347118
Polar Surface Area
34.15
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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