Molecule

ID:118841

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₂
Molecular Mass
223.22676
Exact Mass
223.06332853
Charge
0
InChI
InChI=1S/C14H9NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)9-5-7-15-8-6-9/h1-8,16H
InChIKey
JUTDMVMGNNVIOM-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(=C1c1ccncc1)O
Isomeric Smiles
C1(=C(c2c(C1=O)cccc2)O)c1ccncc1
Calculated Properties
JChem
Acid pKa
6.3010297
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5408493
LogD (pH = 7.4)
0.48675442
Log P
1.613948
Molar Refractivity
65.0065
Polarizability
24.376396
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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