Molecule

ID:80444

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₃
Molecular Mass
306.39994
Exact Mass
306.1943427
Charge
0
InChI
InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-11-9-14(10-12-19)18-13-5-7-15(21-4)8-6-13/h5-8,14,18H,9-12H2,1-4H3
InChIKey
ZSUFBKHEFBKBDJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCC(Nc2ccc(cc2)OC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.779379
LogD (pH = 7.4)
2.2059107
Log P
2.215304
Molar Refractivity
87.8665
Polarizability
33.575397
Polar Surface Area
50.8
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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