Molecule

ID:15901

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H17NO.ClH/c1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16;/h2-8,11H,9-10,16H2,1H3;1H
InChIKey
SDEWQKXSRLZCTC-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CCc1ccccc1N.Cl
Isomeric Smiles
c1ccc(c(c1)CCc1cc(ccc1)OC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5044115
LogD (pH = 7.4)
3.522772
Log P
3.5230112
Molar Refractivity
71.5598
Polarizability
27.143173
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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