Molecule

ID:43062

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₄
Molecular Mass
334.41004
Exact Mass
334.18925732
Charge
0
InChI
InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-13-9-5-8-12-19(20)16(21)23-14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3
InChIKey
IKIKLNFJFSNCQR-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCCN1C(=O)OC(C)(C)C)OCc1ccccc1
Isomeric Smiles
N1(N(C(=O)OCc2ccccc2)CCCCC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6949956
LogD (pH = 7.4)
3.6949956
Log P
3.6949956
Molar Refractivity
90.9326
Polarizability
35.513367
Polar Surface Area
59.08
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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