Molecule

ID:57558

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-11-3-2-9-5-7(6-10)4-8-9/h4-6H,2-3H2,1H3
InChIKey
OZCYWOQGSFDUNP-UHFFFAOYSA-N
Canonic Smiles
COCCn1cc(cn1)C=O
Isomeric Smiles
n1n(cc(c1)C=O)CCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.06661299
LogD (pH = 7.4)
0.066632465
Log P
0.06663271
Molar Refractivity
52.5889
Polarizability
15.216787
Polar Surface Area
44.12
Rotatable Bonds
4
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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