Molecule

ID:11513

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁ClN₂O₂
Molecular Mass
272.77104
Exact Mass
272.1291556
Charge
0
InChI
InChI=1S/C13H20N2O2.ClH/c1-16-12-4-3-11(13(9-12)17-2)10-15-7-5-14-6-8-15;/h3-4,9,14H,5-8,10H2,1-2H3;1H
InChIKey
PGGVTZYLHRRXRR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1CN1CCNCC1.Cl
Isomeric Smiles
C1NCCN(C1)Cc1c(cc(cc1)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0669312
LogD (pH = 7.4)
-0.7493834
Log P
1.0633717
Molar Refractivity
68.2825
Polarizability
26.891792
Polar Surface Area
33.73
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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