Molecule

ID:59267

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-5(2)6-3-4-8-7(10)9-6/h3-5H,1-2H3,(H,8,9,10)
InChIKey
WIFRPAGGWKZFSR-UHFFFAOYSA-N
Canonic Smiles
Oc1nccc(n1)C(C)C
Isomeric Smiles
n1c(nccc1C(C)C)O
Calculated Properties
JChem
Acid pKa
13.644617
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7998477
LogD (pH = 7.4)
1.7998482
Log P
1.7998484
Molar Refractivity
38.4421
Polarizability
14.601999
Polar Surface Area
46.01
Rotatable Bonds
1
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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