Molecule

ID:11374

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₃
Molecular Mass
281.3059
Exact Mass
281.10519335
Charge
0
InChI
InChI=1S/C17H15NO3/c19-16(12-6-2-1-3-7-12)18-11-14-9-5-4-8-13(14)10-15(18)17(20)21/h1-9,15H,10-11H2,(H,20,21)
InChIKey
QBBPKILWLZTVIC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Cc2ccccc2CN1C(=O)c1ccccc1
Isomeric Smiles
N1(C(=O)c2ccccc2)C(Cc2c(C1)cccc2)C(=O)O
Calculated Properties
Provided by Enamine
CLogP
2.62
H Donor
1
Polar Surface Area
57.61
Rotatable Bonds
2
JChem
Log P
2.73
LogD (pH = 7.4)
-0.57
LogD (pH = 5.5)
0.95
Rotatable Bonds
2
H Donor
1
H Acceptors
3
Polar Surface Area
57.61
Molar Refractivity
78
Polarizability
29.45
Acid pKa
3.73
Lipinski's Rule of Five
true
LOG S
-3.89
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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