Molecule

ID:17232

General Information
Structure
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-14(2)12-9(7-11(16-14)13(17)18)8-5-3-4-6-10(8)15-12/h3-6,11,15-16H,7H2,1-2H3,(H,17,18)
InChIKey
CWGHZIOJFVTEPN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Cc2c3ccccc3[nH]c2C(N1)(C)C
Isomeric Smiles
c12c(c3c([nH]1)cccc3)CC(NC2(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.0724998
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.49183372
LogD (pH = 7.4)
-0.4982044
Log P
-0.49192235
Molar Refractivity
68.4665
Polarizability
27.887533
Polar Surface Area
65.12
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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