Molecule
ID:48475
General Information
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c18-15(19)12-7-8-16-14(10-12)17-9-3-5-11-4-1-2-6-13(11)17/h1-2,4,6-8,10H,3,5,9H2,(H,18,19)
InChIKey
HALUKXXFYBBZSI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccnc(c1)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2cc(C(=O)O)ccn2)c2c(CCC1)cccc2
Calculated Properties
JChem
Acid pKa
4.37278
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.9677192
LogD (pH = 7.4)
0.22322589
Log P
2.993081
Molar Refractivity
72.7643
Polarizability
27.203537
Polar Surface Area
53.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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