Molecule

ID:21486

General Information
Structure
Molecular Formula
C₇H₉N₃O
Molecular Mass
151.16586
Exact Mass
151.07456192
Charge
0
InChI
InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
InChIKey
WPBZMCGPFHZRHJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)N
Isomeric Smiles
C(=O)(c1ccc(N)cc1)NN
Calculated Properties
JChem
Acid pKa
15.212029
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.30504432
LogD (pH = 7.4)
-0.3015601
Log P
-0.30151555
Molar Refractivity
44.3209
Polarizability
15.732221
Polar Surface Area
81.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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