Molecule

ID:92887

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)20-11-9-19(10-12-20)13-14-5-7-15(8-6-14)16(21)23-4/h5-8H,9-13H2,1-4H3
InChIKey
FVMXNXMOUWFRMQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CN1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(Cc2ccc(cc2)C(=O)OC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6763965
LogD (pH = 7.4)
2.6198845
Log P
2.6653843
Molar Refractivity
92.3765
Polarizability
35.868103
Polar Surface Area
59.08
Rotatable Bonds
6
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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