Molecule

ID:62720

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃O₄
Molecular Mass
307.34494
Exact Mass
307.15320617
Charge
0
InChI
InChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)18-8-7-17(10-12(18)13(19)20)11-5-4-6-16-9-11/h4-6,9,12H,7-8,10H2,1-3H3,(H,19,20)
InChIKey
FLFIIHVTTWZCIV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(CCN1C(=O)OC(C)(C)C)c1cccnc1
Isomeric Smiles
N1(C(CN(CC1)c1cnccc1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.7213516
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.08473113
LogD (pH = 7.4)
-1.5555232
Log P
0.083495885
Molar Refractivity
79.9101
Polarizability
30.74261
Polar Surface Area
82.97
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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