Molecule

ID:34667

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₄O
Molecular Mass
166.1805
Exact Mass
166.08546096
Charge
0
InChI
InChI=1S/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)
InChIKey
YGCXQTYRSKMILM-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(c(c1)N)N
Isomeric Smiles
C(=O)(c1cc(c(cc1)N)N)NN
Calculated Properties
JChem
Acid pKa
15.335474
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-1.1344903
LogD (pH = 7.4)
-1.1304927
Log P
-1.1304415
Molar Refractivity
49.0213
Polarizability
16.887432
Polar Surface Area
107.16
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
References
Bioactivity
Navigation