Molecule

ID:92973

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₄
Molecular Mass
320.38346
Exact Mass
320.17360726
Charge
0
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)14-7-5-13(6-8-14)15(20)22-4/h5-8H,9-12H2,1-4H3
InChIKey
SMDBCJAJWDCJOP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(c2ccc(cc2)C(=O)OC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8319998
LogD (pH = 7.4)
2.832031
Log P
2.8320312
Molar Refractivity
88.2624
Polarizability
33.656185
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
References
Bioactivity
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