Molecule

ID:13167

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₅
Molecular Mass
360.40426
Exact Mass
360.16852188
Charge
0
InChI
InChI=1S/C17H22N2O.C2H2O4/c1-4-6-17(18-13-16-7-5-12-20-16)14-8-10-15(11-9-14)19(2)3;3-1(4)2(5)6/h4-5,7-12,17-18H,1,6,13H2,2-3H3;(H,3,4)(H,5,6)
InChIKey
VNVCOJBAHLVZPK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.C=CCC(c1ccc(cc1)N(C)C)NCc1ccco1
Isomeric Smiles
c1ccoc1CNC(c1ccc(cc1)N(C)C)CC=C.O=C(O)C(=O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.91465944
LogD (pH = 7.4)
2.6887906
Log P
3.5040364
Molar Refractivity
84.326
Polarizability
32.12415
Polar Surface Area
28.41
Rotatable Bonds
8
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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