Molecule

ID:57629

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c1-7-9(6-13)8(2)12(11-7)5-4-10(14)15-3/h6H,4-5H2,1-3H3
InChIKey
NDUFFKJPKSHLPD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCn1nc(c(c1C)C=O)C
Isomeric Smiles
n1(c(c(c(n1)C)C=O)C)CCC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.30475911
LogD (pH = 7.4)
0.30542135
Log P
0.30542982
Molar Refractivity
66.8397
Polarizability
20.754732
Polar Surface Area
61.19
Rotatable Bonds
5
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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