Molecule

ID:20941

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKey
BSFOBRFGIFRVCP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1OC1CCNCC1
Isomeric Smiles
c1(OC2CCNCC2)c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1440213
LogD (pH = 7.4)
-0.29970205
Log P
2.0633774
Molar Refractivity
57.4824
Polarizability
22.89111
Polar Surface Area
21.26
Rotatable Bonds
2
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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