Molecule

ID:76213

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H17NO.ClH/c1-17-14-9-7-13(8-10-14)15(11-16)12-5-3-2-4-6-12;/h2-10,15H,11,16H2,1H3;1H
InChIKey
ZIFXJVKXYWKKOH-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)c1ccc(cc1)OC.Cl
Isomeric Smiles
NCC(c1ccc(cc1)OC)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.27800286
LogD (pH = 7.4)
0.46966434
Log P
2.728781
Molar Refractivity
70.3162
Polarizability
27.620728
Polar Surface Area
35.25
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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