Molecule

ID:20046

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁Cl₃N₂O
Molecular Mass
327.67764
Exact Mass
326.07194634
Charge
0
InChI
InChI=1S/C13H19ClN2O.2ClH/c14-12-10-11(15)4-5-13(12)17-9-8-16-6-2-1-3-7-16;;/h4-5,10H,1-3,6-9,15H2;2*1H
InChIKey
RCWFDQDBHWJBGE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)OCCN1CCCCC1.Cl.Cl
Isomeric Smiles
c1(cc(N)ccc1OCCN1CCCCC1)Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.03323255
LogD (pH = 7.4)
1.7477864
Log P
2.459704
Molar Refractivity
72.1875
Polarizability
27.716219
Polar Surface Area
38.49
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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