Molecule

ID:72056

General Information
Structure
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
297.3053
Exact Mass
297.10010797
Charge
0
InChI
InChI=1S/C17H15NO4/c1-20-13-8-7-10(9-14(13)21-2)16(19)17-15(18)11-5-3-4-6-12(11)22-17/h3-9H,18H2,1-2H3
InChIKey
MTSIFOMCTCZFPC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(=O)c1oc2c(c1N)cccc2
Isomeric Smiles
c1(c(c2c(o1)cccc2)N)C(=O)c1cc(c(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.0174549
LogD (pH = 7.4)
3.0174549
Log P
3.0174549
Molar Refractivity
82.9789
Polarizability
32.53201
Polar Surface Area
74.69
Rotatable Bonds
4
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