Molecule

ID:48474

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c17-14(18)11-5-7-15-13(9-11)16-8-6-10-3-1-2-4-12(10)16/h1-5,7,9H,6,8H2,(H,17,18)
InChIKey
MSEGFAQPCDEQNH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccnc(c1)N1CCc2c1cccc2
Isomeric Smiles
N1(c2cc(C(=O)O)ccn2)c2c(CC1)cccc2
Calculated Properties
JChem
Acid pKa
4.372512
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5231539
LogD (pH = 7.4)
-0.22135405
Log P
2.5495229
Molar Refractivity
68.1633
Polarizability
25.363323
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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