Molecule

ID:61353

General Information
Structure
Molecular Formula
C₁₅H₁₁NO₃
Molecular Mass
253.25274
Exact Mass
253.07389322
Charge
0
InChI
InChI=1S/C15H11NO3/c1-9-12(17)5-4-11-14(18)13(19-15(9)11)7-10-3-2-6-16-8-10/h2-8,17H,1H3/b13-7-
InChIKey
LRDGARJOLZMYEK-QPEQYQDCSA-N
Canonic Smiles
O=C1/C(=C/c2cccnc2)/Oc2c1ccc(c2C)O
Isomeric Smiles
c12O/C(=C\c3cnccc3)/C(=O)c1ccc(c2C)O
Calculated Properties
JChem
Acid pKa
8.094923
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1395159
LogD (pH = 7.4)
2.1144185
Log P
2.194458
Molar Refractivity
71.9115
Polarizability
26.742682
Polar Surface Area
59.42
Rotatable Bonds
1
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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