Molecule

ID:42959

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃O₃
Molecular Mass
319.3987
Exact Mass
319.18959168
Charge
0
InChI
InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-12-6-4-5-11-19(20)15(21)13-7-9-14(18)10-8-13/h7-10H,4-6,11-12,18H2,1-3H3
InChIKey
PRZLFYZGKUTAKL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)N1CCCCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(N(C(=O)OC(C)(C)C)CCCCC1)C(=O)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.374556
LogD (pH = 7.4)
2.3764555
Log P
2.3764799
Molar Refractivity
90.0673
Polarizability
33.90381
Polar Surface Area
75.87
Rotatable Bonds
3
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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