Molecule

ID:85134

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₃
Molecular Mass
281.3059
Exact Mass
281.10519335
Charge
0
InChI
InChI=1S/C17H15NO3/c18-17(20)12-21-15-9-6-13(7-10-15)8-11-16(19)14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,20)
InChIKey
XZRDKESCIXRAJM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)/C=C/c1ccc(cc1)OCC(=O)N
Isomeric Smiles
O=C(COc1ccc(cc1)/C=C/C(=O)c1ccccc1)N
Calculated Properties
JChem
Acid pKa
15.501741
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4036946
LogD (pH = 7.4)
2.4036946
Log P
2.4036946
Molar Refractivity
81.247
Polarizability
30.895123
Polar Surface Area
69.39
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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