Molecule
ID:51106
General Information
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c10-4-7-5-2-1-3-6(5)8-9-7/h10H,1-4H2,(H,8,9)
InChIKey
TZTISSAVSHFFOI-UHFFFAOYSA-N
Canonic Smiles
OCc1[nH]nc2c1CCC2
Isomeric Smiles
n1[nH]c(c2c1CCC2)CO
Calculated Properties
JChem
Acid pKa
14.507652
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.31097478
LogD (pH = 7.4)
0.3116737
Log P
0.31168267
Molar Refractivity
38.8962
Polarizability
14.24566
Polar Surface Area
48.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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