Molecule

ID:38019

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇F₂N₃O₂
Molecular Mass
345.3432864
Exact Mass
345.12888324
Charge
0
InChI
InChI=1S/C18H17F2N3O2/c1-10(2)25-18(24)13-9-21-23-15(16(19)20)8-14(22-17(13)23)12-6-4-11(3)5-7-12/h4-10,16H,1-3H3
InChIKey
ZASBWCMOZYLOBV-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)c1cnn2c1nc(cc2C(F)F)c1ccc(cc1)C)C
Isomeric Smiles
c12n(c(cc(n2)c2ccc(cc2)C)C(F)F)ncc1C(=O)OC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.285417
LogD (pH = 7.4)
4.2854185
Log P
4.285419
Molar Refractivity
99.7332
Polarizability
34.467197
Polar Surface Area
56.49
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