Molecule

ID:103726

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₃
Molecular Mass
238.28292
Exact Mass
238.13174245
Charge
0
InChI
InChI=1S/C12H18N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h5-6,8,17H,7H2,1-4H3
InChIKey
NSNRDGGMJSRUMG-UHFFFAOYSA-N
Canonic Smiles
ON1C(C)(C)CC(C1(C)C)N1C(=O)C=CC1=O
Isomeric Smiles
CC1(C)CC(N2C(=O)C=CC2=O)C(C)(C)N1O
Calculated Properties
JChem
Acid pKa
14.732259
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.18394317
LogD (pH = 7.4)
0.18402614
Log P
0.18402722
Molar Refractivity
63.417698
Polarizability
24.592838
Polar Surface Area
60.85
Rotatable Bonds
1
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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