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Chemical ID: 4564783
Chemical ID:
4564783
Name [?]:
None
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)n3cc([nH]c3n2)c4ccccc4
InChi [?]:
InChI=1/C15H13N5O2/c1-18-12-11(13(21)19(2)15(18)22)20-8-10(16-14(20)17-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,10,20,19,21,18,22,12,17,13,4,3,5,15,8,14,16,2,7,11,6,9/E:(4,5)(6,7)/rA:22nCNCCCONCOCNCCNCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;d12;s13;s11s14;s3d15;s13;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N5O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48503 |
Area: | 470.522 |
Solvation: | -2.27803 |
Coulombic: | -60.2623 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 295.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.04 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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