Molecule

ID:24976

General Information
Structure
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-3-9-6(2)7(5-10)4-8-9/h4-5H,3H2,1-2H3
InChIKey
BVTRLDWWMDFELV-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C=O)cnn1CC
Isomeric Smiles
n1n(c(c(c1)C=O)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.66990834
LogD (pH = 7.4)
0.66997665
Log P
0.6699775
Molar Refractivity
51.4437
Polarizability
14.412391
Polar Surface Area
34.89
Rotatable Bonds
2
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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