Molecule

ID:20834

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-15-13-7-3-2-5-11(13)10-16-12-6-4-8-14-9-12;/h2-3,5,7,12,14H,4,6,8-10H2,1H3;1H
InChIKey
BHNXWKXKISGWNK-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1COC1CCCNC1.Cl
Isomeric Smiles
c1(COC2CNCCC2)c(OC)cccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.397853
LogD (pH = 7.4)
-0.40905976
Log P
1.7925124
Molar Refractivity
64.0239
Polarizability
25.381178
Polar Surface Area
30.49
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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