Chemical ID: 5275604

Cc1ccccc1Nc2c(nc3c(n2)non3)N
Chemical ID:
5275604
Name [?]:
N'-(o-tolyl)-8-oxa-2,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,9-tetraene-3,4-diamine
SMILES [?]:
Cc1ccccc1Nc2c(nc3c(n2)non3)N
InChi [?]:
InChI=1/C11H10N6O/c1-6-4-2-3-5-7(6)13-9-8(12)14-10-11(15-9)17-18-16-10/h2-5H,1H3,(H2,12,14,16)(H,13,15,17)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,2,7,10,9,12,13,18,8,11,14,17,15,16/rA:18nCCCCCCCNCCNCCNNONN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;s12;d9s13;d13;s15;d12s16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N6O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.6113
Area:404.43
Solvation:-1.49945
Coulombic:-46.1673
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:242.237
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:3.01
LogP (Chemaxon):2.31

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