Molecule

ID:115854

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₃O₃
Molecular Mass
275.30308
Exact Mass
275.12699142
Charge
0
InChI
InChI=1S/C14H17N3O3/c1-18-11-4-3-9(5-12(11)19-2)6-13-16-14(20-17-13)10-7-15-8-10/h3-5,10,15H,6-8H2,1-2H3
InChIKey
CKPDEAUNKHVHGU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)Cc1noc(n1)C1CNC1
Isomeric Smiles
n1c(onc1Cc1cc(c(cc1)OC)OC)C1CNC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.7819272
LogD (pH = 7.4)
-0.32707846
Log P
1.3952191
Molar Refractivity
74.3091
Polarizability
28.102638
Polar Surface Area
69.41
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