Molecule

ID:118638

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₃
Molecular Mass
269.2952
Exact Mass
269.10519335
Charge
0
InChI
InChI=1S/C16H15NO3/c18-15(10-9-12-5-2-1-3-6-12)17-14-8-4-7-13(11-14)16(19)20/h1-8,11H,9-10H2,(H,17,18)(H,19,20)
InChIKey
SCVWMUGDUMGWEC-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)C(=O)O)CCc1ccccc1
Isomeric Smiles
C(=O)(c1cc(NC(=O)CCc2ccccc2)ccc1)O
Calculated Properties
JChem
Acid pKa
3.9196649
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.560701
LogD (pH = 7.4)
-0.05587308
Log P
3.1474476
Molar Refractivity
77.5001
Polarizability
28.964935
Polar Surface Area
66.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation