Molecule

ID:52253

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O
Molecular Mass
136.15122
Exact Mass
136.06366289
Charge
0
InChI
InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey
QIKYZXDTTPVVAC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)N
Isomeric Smiles
C(=O)(c1ccc(cc1)N)N
Calculated Properties
JChem
Acid pKa
15.327932
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.008310033
LogD (pH = 7.4)
-0.005081164
Log P
-0.0050398437
Molar Refractivity
39.8368
Polarizability
14.302226
Polar Surface Area
69.11
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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