Molecule

ID:71384

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₂
Molecular Mass
178.1879
Exact Mass
178.07422757
Charge
0
InChI
InChI=1S/C9H10N2O2/c1-11-8(12)5-13-7-4-2-3-6(10)9(7)11/h2-4H,5,10H2,1H3
InChIKey
WFBXYEPLEPAVMO-UHFFFAOYSA-N
Canonic Smiles
O=C1COc2c(N1C)c(N)ccc2
Isomeric Smiles
N1(c2c(OCC1=O)cccc2N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.21134868
LogD (pH = 7.4)
-0.21025984
Log P
-0.21024595
Molar Refractivity
48.6414
Polarizability
18.15652
Polar Surface Area
55.56
Rotatable Bonds
0
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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