Molecule

ID:130325

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)/t8-,9+/m0/s1
InChIKey
MKELYWOVSPVORM-DTWKUNHWSA-N
Canonic Smiles
CCC1(C(=O)NC(=O)NC1=O)C1=C[C@@H]2C[C@H](C1)CC2
Isomeric Smiles
O=C1NC(=O)NC(=O)C1(CC)C1=C[C@@H]2C[C@H](C1)CC2
Calculated Properties
JChem
Acid pKa
8.140075
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5778445
LogD (pH = 7.4)
1.5071293
Log P
1.5788268
Molar Refractivity
68.9467
Polarizability
26.623905
Polar Surface Area
75.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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