Molecule

ID:30010

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c1-6-5-7-8(10)3-2-4-9(7)12-11-6/h2-5H,10H2,1H3
InChIKey
HOJQDQQMHMVETF-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc2c(c1)c(N)ccc2
Isomeric Smiles
c12c(nnc(c1)C)cccc2N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.40217036
LogD (pH = 7.4)
0.45288822
Log P
0.45357475
Molar Refractivity
49.1345
Polarizability
18.98969
Polar Surface Area
51.8
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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