Molecule

ID:15903

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H17NO.ClH/c1-17-15-9-5-3-7-13(15)11-10-12-6-2-4-8-14(12)16;/h2-9H,10-11,16H2,1H3;1H
InChIKey
AIOOHSBYUSDKDO-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CCc1ccccc1N.Cl
Isomeric Smiles
c1ccc(c(c1)CCc1ccccc1OC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5045743
LogD (pH = 7.4)
3.5227742
Log P
3.5230112
Molar Refractivity
71.5598
Polarizability
27.144066
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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