Molecule

ID:59884

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₄
Molecular Mass
316.3517
Exact Mass
316.14230713
Charge
0
InChI
InChI=1S/C17H20N2O4/c1-23-16(21)12-8-6-11(7-9-12)10-19-15(20)13-4-2-3-5-14(13)18-17(19)22/h2-5,11-12H,6-10H2,1H3,(H,18,22)/t11-,12-
InChIKey
YIOZSDQZKFERKL-HAQNSBGRSA-N
Canonic Smiles
COC(=O)[C@@H]1CC[C@H](CC1)Cn1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)C[C@H]1CC[C@H](C(=O)OC)CC1
Calculated Properties
JChem
Acid pKa
11.428076
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.103545
LogD (pH = 7.4)
3.1035068
Log P
3.1035454
Molar Refractivity
85.4268
Polarizability
32.126682
Polar Surface Area
75.71
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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