Molecule

ID:10833

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₃
Molecular Mass
283.32178
Exact Mass
283.12084341
Charge
0
InChI
InChI=1S/C17H17NO3/c19-15(20)11-12-18-17(21)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,18,21)(H,19,20)
InChIKey
FCHAMONAOZBQJQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(c1ccccc1)c1ccccc1)NCCC(=O)O
Isomeric Smiles
C(=O)(C(c1ccccc1)c1ccccc1)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.397968
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2860553
LogD (pH = 7.4)
-0.47005433
Log P
2.419514
Molar Refractivity
79.538
Polarizability
30.841751
Polar Surface Area
66.4
Rotatable Bonds
6
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