Molecule

ID:30204

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-2-10-13-9(7-12(15-10)14(17)18)8-5-3-4-6-11(8)16-13/h3-6,10,12,15-16H,2,7H2,1H3,(H,17,18)
InChIKey
OOJCKCNYTLTQGT-UHFFFAOYSA-N
Canonic Smiles
CCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O
Isomeric Smiles
c12c([nH]c3c1cccc3)C(NC(C2)C(=O)O)CC
Calculated Properties
JChem
Acid pKa
2.080146
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.25017396
LogD (pH = 7.4)
-0.25575057
Log P
-0.25023878
Molar Refractivity
68.3523
Polarizability
27.887815
Polar Surface Area
65.12
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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