Molecule

ID:86240

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-5-3-6(2)9-7(5)4-8-10/h3-4,9-10H,1-2H3
InChIKey
VWOHSPQDRJTPSN-UHFFFAOYSA-N
Canonic Smiles
Cc1cc([nH]c1/C=N/O)C
Isomeric Smiles
[nH]1c(c(cc1C)C)/C=N/O
Calculated Properties
JChem
Acid pKa
13.238261
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4057734
LogD (pH = 7.4)
1.4080659
Log P
1.4080958
Molar Refractivity
41.2909
Polarizability
14.814176
Polar Surface Area
48.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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