Molecule

ID:14433

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₄
Molecular Mass
299.32118
Exact Mass
299.11575803
Charge
0
InChI
InChI=1S/C17H17NO4/c1-10-15(13-7-2-3-8-14(13)22-10)16(19)18-12-6-4-5-11(9-12)17(20)21/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKey
GYIRFGYREKCEGK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(C)oc2c1CCCC2)Nc1cccc(c1)C(=O)O
Isomeric Smiles
c12c(c(oc1CCCC2)C)C(=O)Nc1cc(ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9185007
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6910003
LogD (pH = 7.4)
0.07493283
Log P
3.2788682
Molar Refractivity
84.0245
Polarizability
30.41368
Polar Surface Area
79.54
Rotatable Bonds
3
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