Chemical ID: 7704175

Cn1c(c(c(=O)n(c1=O)C)C(=C(C#N)C#N)C#N)N=CN(C)C
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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