Molecule

ID:24638

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-6(2)9-4-7(5-10)3-8-9/h3-6H,1-2H3
InChIKey
JTOWCZGTZBCRNY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnn(c1)C(C)C
Isomeric Smiles
n1(ncc(c1)C=O)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8869717
LogD (pH = 7.4)
0.88699096
Log P
0.8869912
Molar Refractivity
50.7128
Polarizability
14.488636
Polar Surface Area
34.89
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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