Chemical ID: 7706721

COc1cccc(c1)N=Nc2c(nn3c2[nH]c4c(c3=O)CCC4)N
Chemical ID:
7706721
Name [?]:
None
SMILES [?]:
COc1cccc(c1)N=Nc2c(nn3c2[nH]c4c(c3=O)CCC4)N
InChi [?]:
InChI=1/C16H16N6O2/c1-24-10-5-2-4-9(8-10)19-20-13-14(17)21-22-15(13)18-12-7-3-6-11(12)16(22)23/h2,4-5,8,18H,3,6-7H2,1H3,(H2,17,21)
InChi Info:
AuxInfo=1/1/N:1,5,22,6,4,21,23,8,7,3,18,17,11,12,15,19,24,16,9,10,13,14,20,2/rA:24nCOCCCCCCNNCCNNCNCCCOCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s13;d11s14;s15;s16;d17;s14s18;d19;s18;s21;s17s22;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N6O2
All Atoms:40
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.44326
Area:522.689
Solvation:-3.62395
Coulombic:-55.2983
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.84
LogP (Chemaxon):None

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Descriptor Annotations

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