Molecule

ID:30464

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)17-15/h1-9,18H,(H,19,20)
InChIKey
KXZJHVJKXJLBKO-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)O)C(=O)O
Calculated Properties
Provided by Enamine
CLogP
3.81
H Donor
2
Polar Surface Area
70.42
Rotatable Bonds
2
JChem
Log P
3.52
LogD (pH = 7.4)
0.16
LogD (pH = 5.5)
1.59
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Polar Surface Area
70.42
Molar Refractivity
73
Polarizability
27.65
Acid pKa
3.56
Lipinski's Rule of Five
true
LOG S
-4.00
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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