Molecule

ID:14812

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClNO
Molecular Mass
221.68278
Exact Mass
221.06074169
Charge
0
InChI
InChI=1S/C12H12ClNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h1-7,14H,8-9H2
InChIKey
FBLWJPWFDPEJMW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CNCc1ccco1
Isomeric Smiles
c1(CNCc2ccco2)ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.72178596
LogD (pH = 7.4)
2.4194682
Log P
2.9203591
Molar Refractivity
61.1143
Polarizability
23.848608
Polar Surface Area
25.17
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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