Molecule

ID:11207

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁ClN₂O₂
Molecular Mass
272.77104
Exact Mass
272.1291556
Charge
0
InChI
InChI=1S/C13H20N2O2.ClH/c1-16-12-3-4-13(17-2)11(9-12)10-15-7-5-14-6-8-15;/h3-4,9,14H,5-8,10H2,1-2H3;1H
InChIKey
UWSVJUWWZFXWEZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1CCNCC1)OC.Cl
Isomeric Smiles
c1c(CN2CCNCC2)c(ccc1OC)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0651567
LogD (pH = 7.4)
-0.74823916
Log P
1.0633717
Molar Refractivity
68.2825
Polarizability
26.890873
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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