Molecule

ID:121522

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₃
Molecular Mass
301.80896
Exact Mass
301.14447131
Charge
0
InChI
InChI=1S/C15H23NO3.ClH/c1-4-7-13(16-10-6-11-17)12-8-5-9-14(18-2)15(12)19-3;/h4-5,8-9,13,16-17H,1,6-7,10-11H2,2-3H3;1H
InChIKey
SGUPSIYNGBDLKM-UHFFFAOYSA-N
Canonic Smiles
COc1c(C(NCCCO)CC=C)cccc1OC.Cl
Isomeric Smiles
c1(c(c(OC)ccc1)OC)C(NCCCO)CC=C.Cl
Calculated Properties
JChem
Acid pKa
15.933808
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3452853
LogD (pH = 7.4)
0.1645459
Log P
1.6657879
Molar Refractivity
76.978
Polarizability
30.155674
Polar Surface Area
50.72
Rotatable Bonds
9
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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