Molecule

ID:58641

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O
Molecular Mass
151.16586
Exact Mass
151.07456192
Charge
0
InChI
InChI=1S/C7H9N3O/c8-10-7(11)5-6-3-1-2-4-9-6/h1-4H,5,8H2,(H,10,11)
InChIKey
NRPAJWLZXPNDOY-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1ccccn1
Isomeric Smiles
c1cnc(cc1)CC(=O)NN
Calculated Properties
JChem
Acid pKa
12.255687
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.32712618
LogD (pH = 7.4)
-0.32428825
Log P
-0.32424632
Molar Refractivity
41.143
Polarizability
15.752206
Polar Surface Area
68.01
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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