Molecule

ID:115847

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₅O
Molecular Mass
203.20066
Exact Mass
203.08070993
Charge
0
InChI
InChI=1S/C9H9N5O/c1-2-11-7(12-3-1)8-13-9(15-14-8)6-4-10-5-6/h1-3,6,10H,4-5H2
InChIKey
UJVPMAMZAOMHMV-UHFFFAOYSA-N
Canonic Smiles
N1CC(C1)c1onc(n1)c1ncccn1
Isomeric Smiles
c1(nc(on1)C1CNC1)c1ncccn1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.5737638
LogD (pH = 7.4)
-1.1091272
Log P
0.59746444
Molar Refractivity
74.3867
Polarizability
19.58246
Polar Surface Area
76.73
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