Molecule

ID:33199

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O
Molecular Mass
204.22848
Exact Mass
204.10111102
Charge
0
InChI
InChI=1S/C10H12N4O/c1-2-8-9(12-3-1)13-10(15-8)14-6-4-11-5-7-14/h1-3,11H,4-7H2
InChIKey
GSHPHBYVQTWDMY-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1nc2c(o1)cccn2
Isomeric Smiles
n1c(oc2c1nccc2)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1950507
LogD (pH = 7.4)
-0.5619749
Log P
0.68356305
Molar Refractivity
56.7963
Polarizability
21.571512
Polar Surface Area
54.19
Rotatable Bonds
1
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