Molecule

ID:48473

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c18-15(19)12-5-7-16-14(9-12)17-8-6-11-3-1-2-4-13(11)10-17/h1-5,7,9H,6,8,10H2,(H,18,19)
InChIKey
GXDLFEGQBNSHQU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccnc(c1)N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2cc(C(=O)O)ccn2)Cc2c(CC1)cccc2
Calculated Properties
JChem
Acid pKa
0.8934926
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1837497
LogD (pH = 7.4)
0.7643938
Log P
1.1929709
Molar Refractivity
73.8216
Polarizability
27.203484
Polar Surface Area
53.43
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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