Molecule

ID:34972

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-14(2,3)11(16)8-15-10-7-5-4-6-9(10)12(17)13(15)18/h4-7H,8H2,1-3H3
InChIKey
GGQBSDZGSYIVQW-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)CN1c2ccccc2C(=O)C1=O
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)CC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
18.263618
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.422755
LogD (pH = 7.4)
2.422755
Log P
2.422755
Molar Refractivity
66.929
Polarizability
25.65783
Polar Surface Area
54.45
Rotatable Bonds
3
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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