Molecule

ID:29230

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO₂
Molecular Mass
291.77262
Exact Mass
291.1026065
Charge
0
InChI
InChI=1S/C16H18ClNO2/c1-12-3-6-14(7-4-12)20-10-9-18-13-5-8-16(19-2)15(17)11-13/h3-8,11,18H,9-10H2,1-2H3
InChIKey
QCHSUWGFDPQBNZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)NCCOc1ccc(cc1)C
Isomeric Smiles
c1(cc(NCCOc2ccc(cc2)C)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.976419
LogD (pH = 7.4)
4.0488615
Log P
4.0498686
Molar Refractivity
83.1132
Polarizability
31.585867
Polar Surface Area
30.49
Rotatable Bonds
6
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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