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Chemical ID: 7704175
Chemical ID:
7704175
Name [?]:
None
SMILES [?]:
Cn1c(c(c(=O)n(c1=O)C)C(=C(C#N)C#N)C#N)N=CN(C)C
InChi [?]:
InChI=1/C14H13N7O2/c1-19(2)8-18-12-11(10(7-17)9(5-15)6-16)13(22)21(4)14(23)20(12)3/h8H,1-4H3
InChi Info:
AuxInfo=1/0/N:22,23,1,10,13,15,17,20,12,11,4,3,5,8,14,16,18,19,21,2,7,6,9/E:(1,2)(5,6)(15,16)/rA:23nCNCCCONCOCCCCNCNCNNCNCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;d11;s12;t13;s12;t15;s11;t17;s3;w19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N7O2 |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.82057 |
Area: | 510.796 |
Solvation: | -3.94933 |
Coulombic: | -51.616 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.71 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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