Molecule

ID:55015

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H17NO.ClH/c16-10-11-17-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13;/h1-9H,10-12,16H2;1H
InChIKey
GSAOMGRRQCNAAW-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccccc1Cc1ccccc1.Cl
Isomeric Smiles
c1(Cc2ccccc2)c(OCCN)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.14878795
LogD (pH = 7.4)
1.2544316
Log P
3.1103847
Molar Refractivity
70.2082
Polarizability
27.625195
Polar Surface Area
35.25
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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