Molecule

ID:14562

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₄O
Molecular Mass
254.28716
Exact Mass
254.11676109
Charge
0
InChI
InChI=1S/C14H14N4O/c1-9-7-13-14(8-12(9)15)17-18(16-13)10-3-5-11(19-2)6-4-10/h3-8H,15H2,1-2H3
InChIKey
FMALMPIXWNKZHT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)n1nc2c(n1)cc(c(c2)N)C
Isomeric Smiles
c12c(nn(n1)c1ccc(cc1)OC)cc(c(c2)C)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.4344137
LogD (pH = 7.4)
2.4346964
Log P
2.4347
Molar Refractivity
85.5786
Polarizability
29.464256
Polar Surface Area
65.96
Rotatable Bonds
2
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