Molecule

ID:20956

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
InChIKey
BYXWGMQMUJCYPK-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)OC1CCNCC1
Isomeric Smiles
N1CCC(Oc2cc(Cl)ccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1440213
LogD (pH = 7.4)
-0.2997027
Log P
2.0633774
Molar Refractivity
57.4824
Polarizability
22.873432
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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