Molecule

ID:123949

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10;/h5-8,10H,1-4,12H2;1H
InChIKey
UXKDWLSFAQUFRH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OC1CCCC1.Cl
Isomeric Smiles
O(c1ccc(N)cc1)C1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1928167
LogD (pH = 7.4)
2.3391216
Log P
2.3413506
Molar Refractivity
53.6348
Polarizability
20.628288
Polar Surface Area
35.25
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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