Molecule

ID:23941

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-4-7-16-13-6-5-11(10-15)8-12(13)9-14(2)3;/h5-6,8,10H,4,7,9H2,1-3H3;1H
InChIKey
SJVYNMJRSBMERX-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1CN(C)C)C=O.Cl
Isomeric Smiles
c1(c(ccc(c1)C=O)OCCC)CN(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7516713
LogD (pH = 7.4)
2.1752696
Log P
2.348804
Molar Refractivity
66.9205
Polarizability
25.471127
Polar Surface Area
29.54
Rotatable Bonds
6
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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