Molecule

ID:50664

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O
Molecular Mass
136.15122
Exact Mass
136.06366289
Charge
0
InChI
InChI=1S/C7H8N2O/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,5,9H,3-4H2
InChIKey
AMSFZNPHLRKOIB-UHFFFAOYSA-N
Canonic Smiles
C1COc2c(N1)ccnc2
Isomeric Smiles
c1ncc2c(c1)NCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0822842
LogD (pH = 7.4)
-0.8668552
Log P
-0.100844696
Molar Refractivity
38.5891
Polarizability
14.202825
Polar Surface Area
34.15
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
References
Bioactivity
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