Molecule

ID:68309

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O
Molecular Mass
136.15122
Exact Mass
136.06366289
Charge
0
InChI
InChI=1S/C7H8N2O/c10-7-6-2-1-4-9(6)5-3-8-7/h1-2,4H,3,5H2,(H,8,10)
InChIKey
CKDOLMXYCOTPEK-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCn2c1ccc2
Isomeric Smiles
c12C(=O)NCCn1ccc2
Calculated Properties
JChem
Acid pKa
15.50326
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.099598475
LogD (pH = 7.4)
0.099598534
Log P
0.099598534
Molar Refractivity
37.5971
Polarizability
13.841394
Polar Surface Area
34.03
Rotatable Bonds
0
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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