Molecule

ID:122536

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c18-14(17-7-1-2-12(9-17)15(19)20)11-4-3-10-5-6-16-13(10)8-11/h3-6,8,12,16H,1-2,7,9H2,(H,19,20)
InChIKey
LXZFFMMSVXBBNB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)C(=O)c1ccc2c(c1)[nH]cc2
Isomeric Smiles
N1(C(=O)c2cc3[nH]ccc3cc2)CC(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
4.240864
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.31891218
LogD (pH = 7.4)
-1.406233
Log P
1.5990183
Molar Refractivity
74.2442
Polarizability
29.195766
Polar Surface Area
73.4
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
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References
Bioactivity
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