Molecule

ID:33279

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃O₂
Molecular Mass
193.20254
Exact Mass
193.08512661
Charge
0
InChI
InChI=1S/C9H11N3O2/c1-6-2-4-7(5-3-6)11-8(13)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
InChIKey
NVMUGOZCZZZROI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(=O)Nc1ccc(cc1)C
Isomeric Smiles
C(=O)(C(=O)Nc1ccc(cc1)C)NN
Calculated Properties
JChem
Acid pKa
10.008377
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.58030105
LogD (pH = 7.4)
0.5796007
Log P
0.5805534
Molar Refractivity
54.0634
Polarizability
19.629839
Polar Surface Area
84.22
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