Molecule

ID:101593

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c16-13-7-11(14(17)18)8-15(13)12-5-9-3-1-2-4-10(9)6-12/h1-4,11-12H,5-8H2,(H,17,18)
InChIKey
RDZZYCFISJESTF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)C1Cc2c(C1)cccc2
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)C1Cc2c(C1)cccc2
Calculated Properties
JChem
Acid pKa
4.3206606
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.06972329
LogD (pH = 7.4)
-1.8123473
Log P
1.1355087
Molar Refractivity
65.5879
Polarizability
25.33853
Polar Surface Area
57.61
Rotatable Bonds
2
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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