Molecule

ID:12330

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c18-15(19)12-6-2-1-5-11(12)13-8-7-10-4-3-9-16-14(10)17-13/h1-9H,(H,18,19)
InChIKey
GESFCCAHDCEFFP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1ccc2c(n1)nccc2
Isomeric Smiles
C(=O)(c1c(cccc1)c1nc2c(cc1)cccn2)O
Calculated Properties
JChem
Acid pKa
3.3990119
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8397006
LogD (pH = 7.4)
-0.47444987
Log P
2.9288912
Molar Refractivity
71.4156
Polarizability
28.679266
Polar Surface Area
63.08
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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