Molecule

ID:67927

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,8H2,1H3
InChIKey
MBGSRKHDEJNWED-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cncc(c1)N
Isomeric Smiles
C(=O)(c1cc(cnc1)N)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.075610496
LogD (pH = 7.4)
-0.06994838
Log P
-0.0698756
Molar Refractivity
40.6268
Polarizability
15.025372
Polar Surface Area
65.21
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
References
Bioactivity
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