Molecule

ID:32992

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃O
Molecular Mass
149.14998
Exact Mass
149.05891186
Charge
0
InChI
InChI=1S/C7H7N3O/c1-11-6-4-10-3-5(2-8)7(6)9/h3-4H,1H3,(H2,9,10)
InChIKey
MPQVJUVEJGVQPN-UHFFFAOYSA-N
Canonic Smiles
COc1cncc(c1N)C#N
Isomeric Smiles
c1(cncc(c1N)C#N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.49396625
LogD (pH = 7.4)
-0.37671232
Log P
-0.37492764
Molar Refractivity
40.7863
Polarizability
14.9394655
Polar Surface Area
71.93
Rotatable Bonds
1
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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