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Chemical ID: 7706754
Chemical ID:
7706754
Name [?]:
None
SMILES [?]:
c1cc2c(cc1N=Nc3c4[nH]c5c(c(=O)n4[nH]c3=O)CCC5)OCO2
InChi [?]:
InChI=1/C16H13N5O4/c22-15-13(19-18-8-4-5-11-12(6-8)25-7-24-11)14-17-10-3-1-2-9(10)16(23)21(14)20-15/h4-6,17H,1-3,7H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:21,20,22,1,2,5,24,6,13,12,3,4,9,10,18,14,11,7,8,17,16,19,15,25,23/rA:25nCCCCCCNNCCNCCCONNCOCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s10;s11;d12;s13;d14;s10s14;s16;s9s17;d18;s13;s20;s12s21;s4;s23;s3s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N5O4 |
All Atoms: | 38 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.05223 |
Area: | 521.853 |
Solvation: | -3.99409 |
Coulombic: | -63.7076 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.2 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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