Molecule

ID:34599

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5H,3,6H2,1H3
InChIKey
YGSSCNXKGBWTBR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CCn1cccn1
Isomeric Smiles
n1(nccc1)CCC(=O)C
Calculated Properties
JChem
Acid pKa
18.631426
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.4455925
LogD (pH = 7.4)
0.44572574
Log P
0.44572744
Molar Refractivity
49.2965
Polarizability
14.580011
Polar Surface Area
34.89
Rotatable Bonds
3
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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