Molecule
ID:120483
General Information
Molecular Formula
C₁₇H₁₅N₇
Molecular Mass
317.3479
Exact Mass
317.13889352
Charge
0
InChI
InChI=1S/C17H15N7/c18-16(12-4-2-8-20-10-12)23-14-6-1-7-15(22-14)24-17(19)13-5-3-9-21-11-13/h1-11H,(H4,18,19,22,23,24)
InChIKey
SBVWWPOQVCMLMM-UHFFFAOYSA-N
Canonic Smiles
N=C(c1cccnc1)Nc1cccc(n1)NC(=N)c1cccnc1
Isomeric Smiles
C(=N)(Nc1nc(NC(=N)c2cnccc2)ccc1)c1cnccc1
Calculated Properties
JChem
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
1.4747447
LogD (pH = 7.4)
1.7146735
Log P
1.7182362
Molar Refractivity
116.2253
Polarizability
34.206944
Polar Surface Area
110.43
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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