Chemical ID: 7706754

c1cc2c(cc1N=Nc3c4[nH]c5c(c(=O)n4[nH]c3=O)CCC5)OCO2
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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