Molecule

ID:29084

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO
Molecular Mass
275.77322
Exact Mass
275.10769188
Charge
0
InChI
InChI=1S/C16H18ClNO/c1-3-19-15-8-5-13(6-9-15)11-18-14-7-4-12(2)16(17)10-14/h4-10,18H,3,11H2,1-2H3
InChIKey
CUHDQRGRBAIJQZ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNc1ccc(c(c1)Cl)C
Isomeric Smiles
c1(cc(NCc2ccc(cc2)OCC)ccc1C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.475658
LogD (pH = 7.4)
4.4869537
Log P
4.4870996
Molar Refractivity
81.9222
Polarizability
30.887804
Polar Surface Area
21.26
Rotatable Bonds
5
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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