Molecule

ID:57597

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O
Molecular Mass
140.18298
Exact Mass
140.09496301
Charge
0
InChI
InChI=1S/C7H12N2O/c1-3-9-6(2)7(5-10)4-8-9/h4,10H,3,5H2,1-2H3
InChIKey
FGYVPWYZXQJMNO-UHFFFAOYSA-N
Canonic Smiles
OCc1cnn(c1C)CC
Isomeric Smiles
n1(c(c(cn1)CO)C)CC
Calculated Properties
JChem
Acid pKa
14.642247
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.18993813
LogD (pH = 7.4)
0.190123
Log P
0.19012539
Molar Refractivity
51.6756
Polarizability
14.962824
Polar Surface Area
38.05
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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