Molecule

ID:48499

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c18-15(19)13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10H2,(H,18,19)
InChIKey
WSUVTBQSFHVPMI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccnc1N1CCc2c(C1)cccc2
Isomeric Smiles
c1(N2Cc3c(CC2)cccc3)c(C(=O)O)cccn1
Calculated Properties
JChem
Acid pKa
2.425581
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2142069
LogD (pH = 7.4)
0.34759593
Log P
1.2572806
Molar Refractivity
73.8216
Polarizability
27.20442
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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