Molecule

ID:135983

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₃
Molecular Mass
234.25116
Exact Mass
234.10044232
Charge
0
InChI
InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)
InChIKey
OQPLORUDZLXXPD-UHFFFAOYSA-N
Canonic Smiles
CCC1(NC(=O)N(C1=O)C)c1ccc(cc1)O
Isomeric Smiles
CN1C(=O)C(NC1=O)(CC)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.455566
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3615601
LogD (pH = 7.4)
1.3578259
Log P
1.3616079
Molar Refractivity
61.5189
Polarizability
23.699648
Polar Surface Area
69.64
Rotatable Bonds
2
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
References
Bioactivity
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