Molecule

ID:134071

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₆O₃
Molecular Mass
326.31006
Exact Mass
326.11273834
Charge
0
InChI
InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKey
CFSOJZTUTOQNIA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)N=[N+]=[N-]
Isomeric Smiles
CCOC(=O)c1c2n(cn1)c1ccc(cc1C(=O)N(C2)C)N=[N+]=[N-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.40365916
LogD (pH = 7.4)
0.4060692
Log P
0.4662
Molar Refractivity
97.9998
Polarizability
31.78516
Polar Surface Area
93.86
Rotatable Bonds
4
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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