Molecule

ID:11606

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₄
Molecular Mass
344.40486
Exact Mass
344.17360726
Charge
0
InChI
InChI=1S/C17H22N2.C2H2O4/c1-19(2)17-10-8-16(9-11-17)14-18-13-12-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-11,18H,12-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
OKMASHJORZMXHS-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)CNCCc1ccccc1)C.OC(=O)C(=O)O
Isomeric Smiles
c1(N(C)C)ccc(cc1)CNCCc1ccccc1.O=C(O)C(=O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.39495355
LogD (pH = 7.4)
1.1511146
Log P
3.652773
Molar Refractivity
83.1022
Polarizability
31.803497
Polar Surface Area
15.27
Rotatable Bonds
7
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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