Molecule

ID:17620

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-6(2)8-9-3-7(5-11)4-10-8/h3-6H,1-2H3
InChIKey
ZXPVVKXNLOGLGN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(nc1)C(C)C
Isomeric Smiles
c1(ncc(cn1)C=O)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4481039
LogD (pH = 7.4)
1.4481193
Log P
1.4481194
Molar Refractivity
43.1321
Polarizability
15.887847
Polar Surface Area
42.85
Rotatable Bonds
2
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
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References
Bioactivity
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