Molecule

ID:35957

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO₃
Molecular Mass
295.33248
Exact Mass
295.12084341
Charge
0
InChI
InChI=1S/C18H17NO3/c1-19-15-9-6-10-17(14(15)11-16(19)18(20)21-2)22-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKey
JXJCMQLPHRVOAH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c(n1C)cccc2OCc1ccccc1
Isomeric Smiles
c1ccc2n(c(cc2c1OCc1ccccc1)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7859638
LogD (pH = 7.4)
3.7859638
Log P
3.7859638
Molar Refractivity
85.0198
Polarizability
33.848965
Polar Surface Area
40.46
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